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2,5,12,15,18,25,28,31,38,41,44,51,53,54,55,56-hexadecazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27,29(54),30,32(37),38,40,42(53),43,45(50),51-nonadecaene

Formula:C40H34N16 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,5,12,15,18,25,28,31,38,41,44,51,53,54,55,56-hexadecazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27,29(54),30,32(37),38,40,42(53),43,45(50),51-nonadecaene is not a drug-like molecule.
MolName2,5,12,15,18,25,28,31,38,41,44,51,53,54,55,56-hexadecazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27,29(54),30,32(37),38,40,42(53),43,45(50),51-nonadecaene
MolecularFormulaC40H34N16
SmilesC1Cc2nc3c([nH]4)/N=C(/c5nc(CCCC6)c6nc55)\N/C5=N/C(c5nc(CCCC6)c6nc55)=N/C5=N\C(c5nc(CCCC6)c6nc55)=N/C5=N\c4c3nc2CC1
InChIInChI=1S/C40H34N16/c1-2-10-18-17(9-1)41-25-26(42-18)34-49-33(25)53-35-27-28(44-20-12-4-3-11-19(20)43-27)37(50-35)55-39-31-32(48-24-16-8-7-15-23(24)47-31)40(52-39)56-38-30-29(36(51-38)54-34)45-21-13-5-6-14-22(21)46-30/h1-16H2,(H2,49,50,51,52,53,54,55,56)
InChIKARADZTCSFJWZGG-UHFFFAOYSA-N
TotalMolweight738.822
Molweight738.822
MonoisotopicMass738.315234
CLogP2.4614
CLogS-7.011
H Acceptors16
H Donors2
TotalSurfaceArea528.23
Relative PSA0.34506
PolarSurfaceArea205.1
Druglikeness-3.9423
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.32143
Fragments1
Non HAtoms56
NonCHAtoms16
Electronegative Atoms16
Rings Closures13
Small Rings12
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms16
Aromatic Nitrogens9
StereoCon

Request More Details | 2,5,12,15,18,25,28,31,38,41,44,51,53,54,55,56-hexadecazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27,29(54),30,32(37),38,40,42(53),43,45(50),51-nonadecaene


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