General Information of the Compound
| Compound ID |
CP0073479
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| Compound Name |
4-(cyclopropylmethyl)-N-(1,1-dioxothian-4-yl)-5-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]naphthalen-1-yl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C26H28F3N3O5S3
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| Molecular Weight |
615.721
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC2)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C26H28F3N3O5S3/c1-15(26(27,28)29)32-40(36,37)22-9-8-20(18-4-2-3-5-19(18)22)23-21(14-16-6-7-16)31-25(38-23)24(33)30-17-10-12-39(34,35)13-11-17/h2-5,8-9,15-17,32H,6-7,10-14H2,1H3,(H,30,33)/t15-/m0/s1
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| InChIKey |
FMKRUXVKAZQWTL-HNNXBMFYSA-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