General Information of the Compound
| Compound ID |
CP0369297
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| Compound Name |
4,5-Dichloro-isothiazole-3-carboxylic acid (cyclopentylcarbamoyl-p-tolyl-methyl)-(4-methoxy-benzyl)-amide
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| Structure |
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| Formula |
C26H27Cl2N3O3S
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| Molecular Weight |
532.493
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| Canonical SMILES |
COc1ccc(CN(C(C(=O)NC2CCCC2)c2ccc(C)cc2)C(=O)c2nsc(Cl)c2Cl)cc1
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| InChI |
InChI=1S/C26H27Cl2N3O3S/c1-16-7-11-18(12-8-16)23(25(32)29-19-5-3-4-6-19)31(15-17-9-13-20(34-2)14-10-17)26(33)22-21(27)24(28)35-30-22/h7-14,19,23H,3-6,15H2,1-2H3,(H,29,32)
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| InChIKey |
RCOHHBZBGOVPHT-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
Protein ID: PT06109, Geminin
Protein ID: PT06101, Latent membrane protein 1