General Information of the Compound
| Compound ID |
CP0731426
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| Compound Name |
(Z)-6-Nitro-3-[phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-indolin-2-one
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| Formula |
C27H26N4O3
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| Molecular Weight |
454.53
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| Canonical SMILES |
O=C1Nc2cc([N+](=O)[O-])ccc2/C1=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C27H26N4O3/c32-27-25(23-14-13-22(31(33)34)17-24(23)29-27)26(20-7-3-1-4-8-20)28-21-11-9-19(10-12-21)18-30-15-5-2-6-16-30/h1,3-4,7-14,17,28H,2,5-6,15-16,18H2,(H,29,32)/b26-25-
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| InChIKey |
RSVCITJDQCYOIT-QPLCGJKRSA-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