General Information of the Compound
| Compound ID |
CP0812651
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| Compound Name |
1-Cyclobutyl-N-[trans-4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]-methanesulfonamide
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| Formula |
C18H26N4O3S
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| Molecular Weight |
378.498
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| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](NS(=O)(=O)CC4CCC4)CC3)c12
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| InChI |
InChI=1S/C18H26N4O3S/c1-11-17-15(9-16(23)19-18(17)21-20-11)13-5-7-14(8-6-13)22-26(24,25)10-12-3-2-4-12/h9,12-14,22H,2-8,10H2,1H3,(H2,19,20,21,23)/t13-,14-
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| InChIKey |
YMIDWRMBEWRZOO-HDJSIYSDSA-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