General Information of the Compound
| Compound ID |
CP0086254
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| Compound Name |
N-tert-butyl-4-[4-(cyclohexylmethyl)-2-(7,7-dioxo-7lambda6-thia-2-azaspiro[3.5]nonane-2-carbonyl)-1,3-thiazol-5-yl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C32H41N3O5S3
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| Molecular Weight |
643.897
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CCS(=O)(=O)CC3)c2ccccc12
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| InChI |
InChI=1S/C32H41N3O5S3/c1-31(2,3)34-43(39,40)27-14-13-25(23-11-7-8-12-24(23)27)28-26(19-22-9-5-4-6-10-22)33-29(41-28)30(36)35-20-32(21-35)15-17-42(37,38)18-16-32/h7-8,11-14,22,34H,4-6,9-10,15-21H2,1-3H3
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| InChIKey |
JQFYVJPIAXFVPK-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