General Information of the Compound
| Compound ID |
CP0564946
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| Compound Name |
2-[(3S)-1-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-(3-methylbutoxy)pyridin-2-yl]piperidin-3-yl]acetic acid
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| Formula |
C28H41N3O5
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| Molecular Weight |
499.652
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| Canonical SMILES |
CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC[C@@H](CC(O)=O)C1
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| InChI |
InChI=1S/C28H41N3O5/c1-17(2)7-9-36-27-22(5-6-23(29-27)31-8-3-4-18(16-31)12-24(32)33)26(34)30-25-20-10-19-11-21(25)15-28(35,13-19)14-20/h5-6,17-21,25,35H,3-4,7-16H2,1-2H3,(H,30,34)(H,32,33)/t18-,19?,20?,21?,25?,28?/m0/s1
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| InChIKey |
WWTMTCJSIPXOAY-XFZXQQMTSA-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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