General Information of the Compound
| Compound ID |
CP0893735
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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 Dimethylamide Hydrochloride
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| Formula |
C30H33ClN4O2
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| Molecular Weight |
517.073
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| Canonical SMILES |
CN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCCC2)cc1)c1ccccc1.Cl
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| InChI |
InChI=1S/C30H32N4O2.ClH/c1-33(2)30(36)23-13-16-25-26(19-23)32-29(35)27(25)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34;/h3,5-6,9-16,19,31H,4,7-8,17-18,20H2,1-2H3,(H,32,35);1H/b28-27-;
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| InChIKey |
INLLMTGMGIGLRA-LXCLTORNSA-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