General Information of the Compound
| Compound ID |
CP0403519
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| Compound Name |
(4-Chloro-phenyl)-{5-methoxy-2-methyl-3-[4-(4-nitro-phenyl)-thiazol-2-ylmethyl]-indol-1-yl}-methanone
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| Structure |
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| Formula |
C27H20ClN3O4S
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| Molecular Weight |
517.994
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(cc3)[N+]([O-])=O)c2c1
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| InChI |
InChI=1S/C27H20ClN3O4S/c1-16-22(14-26-29-24(15-36-26)17-5-9-20(10-6-17)31(33)34)23-13-21(35-2)11-12-25(23)30(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3
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| InChIKey |
LCWLZWRNZWPYIQ-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