General Information of the Compound
| Compound ID |
CP0956578
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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
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| Formula |
C28H27N3O3
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| Molecular Weight |
453.542
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| Canonical SMILES |
O=C1Nc2cc(C(=O)O)ccc2/C1=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C28H27N3O3/c32-27-25(23-14-11-21(28(33)34)17-24(23)30-27)26(20-7-3-1-4-8-20)29-22-12-9-19(10-13-22)18-31-15-5-2-6-16-31/h1,3-4,7-14,17,29H,2,5-6,15-16,18H2,(H,30,32)(H,33,34)/b26-25-
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| InChIKey |
KTEHHVYBDNJOOG-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