General Information of the Compound
| Compound ID |
CP0378640
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| Compound Name |
(4-Chloro-phenyl)-[5-methoxy-2-methyl-3-(4-naphthalen-2-yl-thiazol-2-ylmethyl)-indol-1-yl]-methanone
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| Structure |
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| Formula |
C31H23ClN2O2S
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| Molecular Weight |
523.057
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc4ccccc4c3)c2c1
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| InChI |
InChI=1S/C31H23ClN2O2S/c1-19-26(17-30-33-28(18-37-30)23-8-7-20-5-3-4-6-22(20)15-23)27-16-25(36-2)13-14-29(27)34(19)31(35)21-9-11-24(32)12-10-21/h3-16,18H,17H2,1-2H3
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| InChIKey |
DHWSKDOOUNAPHC-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