General Information of the Compound
| Compound ID |
CP0399384
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| Compound Name |
[3-[(2-amino-1,3-thiazol-4-yl)methyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
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| Structure |
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| Formula |
C21H18ClN3O2S
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| Molecular Weight |
411.914
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3csc(N)n3)c2c1
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| InChI |
InChI=1S/C21H18ClN3O2S/c1-12-17(9-15-11-28-21(23)24-15)18-10-16(27-2)7-8-19(18)25(12)20(26)13-3-5-14(22)6-4-13/h3-8,10-11H,9H2,1-2H3,(H2,23,24)
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| InChIKey |
IUNHGASZWHASJU-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