General Information of the Compound
| Compound ID |
CP0674913
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| Compound Name |
(Z)-3-({4-[2-(4-Methylpiperazin-1-yl)acetylamino]-phenylamino}-phenyl-methylene)-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acidMethyl Ester
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| Formula |
C30H31N5O4
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| Molecular Weight |
525.609
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| Canonical SMILES |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(NC(=O)CN2CCN(C)CC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C30H31N5O4/c1-34-14-16-35(17-15-34)19-26(36)31-22-9-11-23(12-10-22)32-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39-2)18-25(24)33-29(27)37/h3-13,18,32H,14-17,19H2,1-2H3,(H,31,36)(H,33,37)/b28-27-
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| InChIKey |
MJBOSKJANLJEQK-DQSJHHFOSA-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