General Information of the Compound
| Compound ID |
CP0701895
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| Compound Name |
5-chloro-2-fluoro-N-(4-(4-((1r,4r)-4-hydroxycyclohexyloxy)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)benzenesulfonamide
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| Formula |
C23H21ClFN5O4S
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| Molecular Weight |
517.97
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| Canonical SMILES |
O=S(=O)(Nc1ccc(-c2nc(O[C@H]3CC[C@H](O)CC3)c3cn[nH]c3n2)cc1)c1cc(Cl)ccc1F
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| InChI |
InChI=1S/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)/t16-,17-
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| InChIKey |
IKBMUGXVSJZWGW-QAQDUYKDSA-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