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(4aS,5aR,8aS,13aR,15aR,15bS)-10-amino-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Formula:C21H23N3O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4aS,5aR,8aS,13aR,15aR,15bS)-10-amino-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one is a drug-like molecule.
MolName(4aS,5aR,8aS,13aR,15aR,15bS)-10-amino-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
MolecularFormulaC21H23N3O2
SmilesNc(cc1)cc([C@]2(CC3)[C@H]4[C@H]5[C@@H](C6)OCC=C7[C@H]5C[C@H]2N3C7)c1N4C6=O
InChIInChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2/t13-,16-,17+,19-,20+,21-/m0/s1
InChIKNRGHCWQGTHPFTE-QWNZLTPESA-N
TotalMolweight349.433
Molweight349.433
MonoisotopicMass349.179027
CLogP0.9162
CLogS-3.63
H Acceptors5
H Donors1
TotalSurfaceArea229.31
Relative PSA0.19803
PolarSurfaceArea58.8
Druglikeness4.578
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.38462
Fragments1
Non HAtoms26
NonCHAtoms5
Electronegative Atoms5
StereoCenters6
Rings Closures7
Small Rings7
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms14
Amides1
Amines2
AlkylAmines1
Aromatic Amines1
BasicNitrogens1
StereoConthis enantiomer

Request More Details | (4aS,5aR,8aS,13aR,15aR,15bS)-10-amino-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one


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