General Information of the Compound
| Compound ID |
CP0469891
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| Compound Name |
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-[4-(3-methyl-butyl)-piperazin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C27H33Cl2N3O
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| Molecular Weight |
486.487
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| Canonical SMILES |
CC(C)CCN1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(C)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C27H33Cl2N3O/c1-19(2)12-13-31-14-16-32(17-15-31)26(33)11-9-23-24-18-22(29)8-10-25(24)30(3)27(23)20-4-6-21(28)7-5-20/h4-8,10,18-19H,9,11-17H2,1-3H3
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| InChIKey |
FAQUNGSUXKEHRR-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