General Information of the Compound
| Compound ID |
CP0578415
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| Compound Name |
(3R)-1-[1-[(5-chloropyridin-2-yl)methyl]-5-fluorobenzimidazol-2-yl]-4,4-difluoropiperidin-3-amine
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| Structure |
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| Formula |
C18H17ClF3N5
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| Molecular Weight |
395.816
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| Canonical SMILES |
N[C@@H]1CN(CCC1(F)F)c1nc2cc(F)ccc2n1Cc1ccc(Cl)cn1
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| InChI |
InChI=1S/C18H17ClF3N5/c19-11-1-3-13(24-8-11)9-27-15-4-2-12(20)7-14(15)25-17(27)26-6-5-18(21,22)16(23)10-26/h1-4,7-8,16H,5-6,9-10,23H2/t16-/m1/s1
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| InChIKey |
NTBGMDVYEDDYJR-MRXNPFEDSA-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