General Information of the Compound
| Compound ID |
CP0166507
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| Compound Name |
3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]methyl}benzamide
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| Structure |
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| Formula |
C19H27Cl2FN2O
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| Molecular Weight |
389.342
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| Canonical SMILES |
CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
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| InChI |
InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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| InChIKey |
HQZBFDAIHIKVRO-CXAGYDPISA-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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