General Information of the Compound
| Compound ID |
CP0941401
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| Compound Name |
(Z)-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-6-pyrrol-1-yl-indolin-2-one
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| Formula |
C31H30N4O
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| Molecular Weight |
474.608
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| Canonical SMILES |
O=C1Nc2cc(-n3cccc3)ccc2/C1=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C31H30N4O/c36-31-29(27-16-15-26(21-28(27)33-31)35-19-7-8-20-35)30(24-9-3-1-4-10-24)32-25-13-11-23(12-14-25)22-34-17-5-2-6-18-34/h1,3-4,7-16,19-21,32H,2,5-6,17-18,22H2,(H,33,36)/b30-29-
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| InChIKey |
YAMIPYKDNHDYAS-FLWNBWAVSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound