General Information of the Compound
| Compound ID |
CP0547904
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| Compound Name |
3-[5-chloro-2-[(3-methylsulfonylpyrazolo[3,4-c]pyridin-1-yl)methyl]benzimidazol-1-yl]-2,2-difluoropropan-1-amine
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| Structure |
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| Formula |
C18H17ClF2N6O2S
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| Molecular Weight |
454.89
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| Canonical SMILES |
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC(F)(F)CN)c2cnccc12
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| InChI |
InChI=1S/C18H17ClF2N6O2S/c1-30(28,29)17-12-4-5-23-7-15(12)27(25-17)8-16-24-13-6-11(19)2-3-14(13)26(16)10-18(20,21)9-22/h2-7H,8-10,22H2,1H3
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| InChIKey |
PBZOIGWIQDAZIJ-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