General Information of the Compound
Compound ID
CP0298640
Compound Name
(Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl]-3-phenyl-urea
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Structure
Formula
C20H16N4O2
Molecular Weight
344.374
Canonical SMILES
O=C(Nc1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
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InChI
InChI=1S/C20H16N4O2/c25-19-17(11-14-7-4-10-21-14)16-9-8-15(12-18(16)24-19)23-20(26)22-13-5-2-1-3-6-13/h1-12,21H,(H,24,25)(H2,22,23,26)/b17-11-
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InChIKey
BFAFTEXTXVWPSX-BOPFTXTBSA-N
Physicochemical Property
logP
4.1514
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
86.02
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46182735
SID: 96035988
ChEMBL ID
CHEMBL1173482
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 4010 nM
   TI
   LI
   LO
   TS
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS
CL000145 NCI-H460 Homo sapiens (Human)  1
1
IC50 = 3280 nM
   TI
   LI
   LO
   TS