General Information of the Compound
| Compound ID |
CP0224960
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| Compound Name |
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-[(2-fluorophenyl)methoxy]pyridin-2-yl]piperidin-3-yl]acetic acid
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| Formula |
C26H32FN3O4
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| Molecular Weight |
469.557
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| Canonical SMILES |
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2ccccc2F)n1
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| InChI |
InChI=1S/C26H32FN3O4/c27-22-11-5-4-8-19(22)17-34-26-21(25(33)28-20-9-2-1-3-10-20)12-13-23(29-26)30-14-6-7-18(16-30)15-24(31)32/h4-5,8,11-13,18,20H,1-3,6-7,9-10,14-17H2,(H,28,33)(H,31,32)/t18-/m0/s1
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| InChIKey |
VJJKKWFDIOXZRD-SFHVURJKSA-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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