1-(3-bromophenyl)-N-(3-morpholin-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C25H25N4O2Br Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-(3-morpholin-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(3-bromophenyl)-N-(3-morpholin-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H25N4O2Br
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NCCCN1CCOCC1
InChI	InChI=1S/C25H25BrN4O2/c26-18-6-3-5-17(15-18)23-24-20(19-7-1-2-8-21(19)28-24)16-22(29-23)25(31)27-9-4-10-30-11-13-32-14-12-30/h1-3,5-8,15-16,28H,4,9-14H2,(H,27,31)
InChIK	HVFOSRLQFFYGMP-UHFFFAOYSA-N
TotalMolweight	493.404
Molweight	493.404
MonoisotopicMass	492.116087
CLogP	4.1064
CLogS	-5.248
H Acceptors	6
H Donors	2
TotalSurfaceArea	341.51
Relative PSA	0.1845
PolarSurfaceArea	70.25
Druglikeness	1.4446
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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