General Information of the Compound
| Compound ID |
CP0710221
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| Compound Name |
(Z)-3-({4-[N-Acetyl-(3-dimethylaminopropyl)-amino]-phenylamino}-phenyl-methylene)-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid Methyl Ester
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| Formula |
C30H32N4O4
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| Molecular Weight |
512.61
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| Canonical SMILES |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CCCN(C)C)C(C)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C30H32N4O4/c1-20(35)34(18-8-17-33(2)3)24-14-12-23(13-15-24)31-28(21-9-6-5-7-10-21)27-25-16-11-22(30(37)38-4)19-26(25)32-29(27)36/h5-7,9-16,19,31H,8,17-18H2,1-4H3,(H,32,36)/b28-27-
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| InChIKey |
JBJZIAHKSVQDAN-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