General Information of the Compound
| Compound ID |
CP0552508
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| Compound Name |
4-[5-chloro-2-[(3-methylsulfonylpyrazolo[3,4-c]pyridin-1-yl)methyl]benzimidazol-1-yl]-1,1,1-trifluorobutan-2-ol
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| Structure |
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| Formula |
C19H17ClF3N5O3S
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| Molecular Weight |
487.891
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| Canonical SMILES |
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(O)C(F)(F)F)c2cnccc12
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| InChI |
InChI=1S/C19H17ClF3N5O3S/c1-32(30,31)18-12-4-6-24-9-15(12)28(26-18)10-17-25-13-8-11(20)2-3-14(13)27(17)7-5-16(29)19(21,22)23/h2-4,6,8-9,16,29H,5,7,10H2,1H3
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| InChIKey |
IBCACDUJLGHIGJ-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