General Information of the Compound
| Compound ID |
CP0695291
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| Compound Name |
(Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-2,3-dihydro-1H-indole-6-carboxylic Acid Methyl Ester
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| Formula |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H29N3O3/c1-35-29(34)22-12-15-24-25(18-22)31-28(33)26(24)27(21-8-4-2-5-9-21)30-23-13-10-20(11-14-23)19-32-16-6-3-7-17-32/h2,4-5,8-15,18,30H,3,6-7,16-17,19H2,1H3,(H,31,33)/b27-26-
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| InChIKey |
PJYLAPUQQYSUKA-RQZHXJHFSA-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