General Information of the Compound
| Compound ID |
CP0648236
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| Compound Name |
(Z)-3-({3-[(3-Dimethylaminopropyl)-methyl-carbamoyl]-phenylamino}-phenyl-methylene)-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid Methyl Ester
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| Formula |
C29H30N4O4
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| Molecular Weight |
498.583
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| Canonical SMILES |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1cccc(C(=O)N(C)CCN(C)C)c1)c1ccccc1
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| InChI |
InChI=1S/C29H30N4O4/c1-32(2)15-16-33(3)28(35)20-11-8-12-22(17-20)30-26(19-9-6-5-7-10-19)25-23-14-13-21(29(36)37-4)18-24(23)31-27(25)34/h5-14,17-18,30H,15-16H2,1-4H3,(H,31,34)/b26-25-
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| InChIKey |
NCJAXEGFYQIOET-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