General Information of the Compound
| Compound ID |
CP0727422
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| Compound Name |
(Z)-3-{[4-(N-Methanesulfonyl-methylamino)-phenylamino]-phenylmethylene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acidMethylEster
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| Formula |
C25H23N3O5S
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| Molecular Weight |
477.542
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| Canonical SMILES |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C25H23N3O5S/c1-28(34(3,31)32)19-12-10-18(11-13-19)26-23(16-7-5-4-6-8-16)22-20-14-9-17(25(30)33-2)15-21(20)27-24(22)29/h4-15,26H,1-3H3,(H,27,29)/b23-22-
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| InChIKey |
UEIQMVYRNFWKTR-FCQUAONHSA-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