General Information of the Compound
| Compound ID |
CP0080103
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| Compound Name |
2-{4-[2-[1-(4-Methoxy-benzyl)-4-methyl-2-oxo-1,2-dihydro-pyridin-3-ylcarbamoyl]-2-(2-methyl-2-naphthalen-2-yl-propionylamino)-ethyl]-phenyl}-2-methyl-propionic acid
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| Structure |
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| Formula |
C41H43N3O6
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| Molecular Weight |
673.81
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| Canonical SMILES |
COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1
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| InChI |
InChI=1S/C41H43N3O6/c1-26-21-22-44(25-28-13-19-33(50-6)20-14-28)37(46)35(26)43-36(45)34(23-27-11-16-31(17-12-27)41(4,5)39(48)49)42-38(47)40(2,3)32-18-15-29-9-7-8-10-30(29)24-32/h7-22,24,34H,23,25H2,1-6H3,(H,42,47)(H,43,45)(H,48,49)/t34-/m0/s1
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| InChIKey |
OGCLKLYODLMLLI-UMSFTDKQSA-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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