4-chloro-N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

Formula:C30H32N5O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
MolecularFormula	C30H32N5O3ClS
Smiles	O=C(CN(C1CC1)C(c(cc1)ccc1Cl)=O)Nc1nc(CC(N2CCN(CC=Cc3ccccc3)CC2)=O)cs1
InChI	InChI=1S/C30H32ClN5O3S/c31-24-10-8-23(9-11-24)29(39)36(26-12-13-26)20-27(37)33-30-32-25(21-40-30)19-28(38)35-17-15-34(16-18-35)14-4-7-22-5-2-1-3-6-22/h1-11,21,26H,12-20H2,(H,32,33,37)
InChIK	CPHBVIBGRZTEBK-UHFFFAOYSA-N
TotalMolweight	578.135
Molweight	578.135
MonoisotopicMass	577.191437
CLogP	4.9334
CLogS	-4.807
H Acceptors	8
H Donors	1
TotalSurfaceArea	434.35
Relative PSA	0.2131
PolarSurfaceArea	114.09
Druglikeness	9.841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.65
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	7
Amides	3
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 4-chloro-N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide | 2 - 4-chloro-N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

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