(1E)-1-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylurea

Formula:C20H15N4OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E)-1-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylurea is a drug-like molecule.

MolName	(1E)-1-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylurea
MolecularFormula	C20H15N4OCl
Smiles	O=C(Nc1ccccc1)/N=C(\c1c(C2)cccc1)/N=C(C=C1)N2C=C1Cl
InChI	InChI=1S/C20H15ClN4O/c21-15-10-11-18-23-19(24-20(26)22-16-7-2-1-3-8-16)17-9-5-4-6-14(17)12-25(18)13-15/h1-11,13H,12H2,(H,22,26)
InChIK	VDLFHWAXBLOJAG-UHFFFAOYSA-N
TotalMolweight	362.819
Molweight	362.819
MonoisotopicMass	362.093438
CLogP	2.7609
CLogS	-5.201
H Acceptors	5
H Donors	1
TotalSurfaceArea	271.86
Relative PSA	0.18785
PolarSurfaceArea	57.06
Druglikeness	2.8671
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
BasicNitrogens	2
StereoCon

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1 - (1E)-1-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylurea | 2 - (1E)-1-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylurea

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