General Information of the Compound
| Compound ID |
CP0489925
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| Compound Name |
5-[[5-chloro-2-[4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
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| Structure |
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| Formula |
C23H29ClF2N6O3
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| Molecular Weight |
510.973
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| Canonical SMILES |
Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)C(CO)C3)cc2n(CCC(C)(C)O)c1=O
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| InChI |
InChI=1S/C23H29ClF2N6O3/c1-22(2,35)6-9-32-18-10-15(4-5-17(18)30(3)21(32)34)28-19-16(24)11-27-20(29-19)31-8-7-23(25,26)14(12-31)13-33/h4-5,10-11,14,33,35H,6-9,12-13H2,1-3H3,(H,27,28,29)
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| InChIKey |
AXXSGZFGJNDDCH-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