General Information of the Compound
| Compound ID |
CP0575184
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| Compound Name |
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-methoxypyridin-2-yl]piperidin-3-yl]acetic acid
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| Structure |
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| Formula |
C20H29N3O4
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| Molecular Weight |
375.469
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| Canonical SMILES |
COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1
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| InChI |
InChI=1S/C20H29N3O4/c1-27-20-16(19(26)21-15-7-3-2-4-8-15)9-10-17(22-20)23-11-5-6-14(13-23)12-18(24)25/h9-10,14-15H,2-8,11-13H2,1H3,(H,21,26)(H,24,25)/t14-/m0/s1
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| InChIKey |
ISUBFMQRGSCEHL-AWEZNQCLSA-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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