N-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C24H23N3O Mutagenic:low Tumorigenic:none Reproductive Effective:none N-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolNameN-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormulaC24H23N3O
SmilesO=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NC1CCCCC1
InChIInChI=1S/C24H23N3O/c28-24(25-17-11-5-2-6-12-17)21-15-19-18-13-7-8-14-20(18)26-23(19)22(27-21)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,26H,2,5-6,11-12H2,(H,25,28)
InChIKMILKMLNUWANBAE-UHFFFAOYSA-N
TotalMolweight369.467
Molweight369.467
MonoisotopicMass369.184112
CLogP4.8137
CLogS-6.228
H Acceptors4
H Donors2
TotalSurfaceArea287.56
Relative PSA0.172
PolarSurfaceArea57.78
Druglikeness-2.9226
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46429
Fragments1
Non HAtoms28
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond3
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms19
Sp3Atoms6
Symmetricatoms4
Amides1
Aromatic Nitrogens2
StereoCon

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