General Information of the Compound
| Compound ID |
CP0555118
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| Compound Name |
3-[5-Chloro-2-(4-chloro-phenyl)-1-cyclopropylmethyl-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C32H33Cl2N3O2
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| Molecular Weight |
562.541
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(CC2CC2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C32H33Cl2N3O2/c1-39-30-5-3-2-4-29(30)35-16-18-36(19-17-35)31(38)15-13-26-27-20-25(34)12-14-28(27)37(21-22-6-7-22)32(26)23-8-10-24(33)11-9-23/h2-5,8-12,14,20,22H,6-7,13,15-19,21H2,1H3
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| InChIKey |
QHFKTCIVKDSYGB-UHFFFAOYSA-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