General Information of the Compound
| Compound ID |
CP0378911
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| Compound Name |
(4aS,8R,8aS)-2-(3,4-dichlorobenzyl)-1-keto-N-phenyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
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| Structure |
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| Formula |
C23H22Cl2N2O2
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| Molecular Weight |
429.347
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| Canonical SMILES |
Clc1ccc(CN2CC[C@H]3C=CC[C@H]([C@H]3C2=O)C(=O)Nc2ccccc2)cc1Cl
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| InChI |
InChI=1S/C23H22Cl2N2O2/c24-19-10-9-15(13-20(19)25)14-27-12-11-16-5-4-8-18(21(16)23(27)29)22(28)26-17-6-2-1-3-7-17/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,26,28)/t16-,18-,21+/m1/s1
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| InChIKey |
FOEVREDQDHWIBE-BLIXFSHQSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3