(5Z,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

Formula:C36H44N4O Mutagenic:low Tumorigenic:none Reproductive Effective:none (5Z,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol is not a drug-like molecule.

MolName	(5Z,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
MolecularFormula	C36H44N4O
Smiles	OC(CC/C=C\CCCCN1CC2(C3)C4CC1)(C2N1C3/C=C\CCCC1)C=C4c1nccc2c1[nH]c1c2cccc1
InChI	InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1?,13-7-
InChIK	FUCSLKWLLSEMDQ-FQROPRAKSA-N
TotalMolweight	548.772
Molweight	548.772
MonoisotopicMass	548.351511
CLogP	6.5436
CLogS	-5.781
H Acceptors	5
H Donors	2
TotalSurfaceArea	418.91
Relative PSA	0.1078
PolarSurfaceArea	55.39
Druglikeness	-2.2323
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.34146
Fragments	1
Non HAtoms	41
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	5
Rotatable Bond	1
Rings Closures	8
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	13
Sp3Atoms	22
Amines	2
AlkylAmines	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon	unknown chirality

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1 - (5Z,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol | 2 - (5Z,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

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