General Information of the Compound
| Compound ID |
CP0438914
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| Compound Name |
(2R)-1-isoquinolin-1-ylsulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C25H24N4O4S2
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| Molecular Weight |
508.625
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2nccc3ccccc23)n1
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| InChI |
InChI=1S/C25H24N4O4S2/c1-33-19-11-9-18(10-12-19)21-16-34-25(27-21)28-23(30)22-8-4-5-15-29(22)35(31,32)24-20-7-3-2-6-17(20)13-14-26-24/h2-3,6-7,9-14,16,22H,4-5,8,15H2,1H3,(H,27,28,30)/t22-/m1/s1
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| InChIKey |
NTOCWVFCKNJPJO-JOCHJYFZSA-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