General Information of the Compound
| Compound ID |
CP0202741
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| Compound Name |
6-chloro-N-[[(1S)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-2-[(3R)-3-fluoropyrrolidin-1-yl]quinoline-5-carboxamide
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| Structure |
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| Formula |
C21H23ClF3N3O2
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| Molecular Weight |
441.881
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| Canonical SMILES |
O[C@@]1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)CCCC(F)(F)C1
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| InChI |
InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20+/m1/s1
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| InChIKey |
YUUZNBBYSFHHNS-XCLFUZPHSA-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