General Information of the Compound
| Compound ID |
CP0674916
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| Compound Name |
(Z)-3-({4-[(2-Dimethylaminoethyl)-methanesulfonyl-amino]-phenylamino}-phenyl-methylene)-2-oxo-2,3-dihydro-1H-indole-6-carboxylic Acid Methyl Ester
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| Formula |
C28H30N4O5S
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| Molecular Weight |
534.638
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| Canonical SMILES |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C28H30N4O5S/c1-31(2)16-17-32(38(4,35)36)22-13-11-21(12-14-22)29-26(19-8-6-5-7-9-19)25-23-15-10-20(28(34)37-3)18-24(23)30-27(25)33/h5-15,18,29H,16-17H2,1-4H3,(H,30,33)/b26-25-
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| InChIKey |
KUZBKIYSYFCFOT-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