1-(3-bromophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C26H20N3O2Br Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(3-bromophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H20N3O2Br
Smiles	O[C@@H](CNC(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)=O)c1ccccc1
InChI	InChI=1S/C26H20BrN3O2/c27-18-10-6-9-17(13-18)24-25-20(19-11-4-5-12-21(19)29-25)14-22(30-24)26(32)28-15-23(31)16-7-2-1-3-8-16/h1-14,23,29,31H,15H2,(H,28,32)/t23-/m0/s1
InChIK	LILKYPQELFNMGE-QHCPKHFHSA-N
TotalMolweight	486.368
Molweight	486.368
MonoisotopicMass	485.073888
CLogP	4.7613
CLogS	-6.375
H Acceptors	5
H Donors	3
TotalSurfaceArea	330.76
Relative PSA	0.18914
PolarSurfaceArea	78.01
Druglikeness	1.3966
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon	this enantiomer

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1 - 1-(3-bromophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(3-bromophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

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