General Information of the Compound
| Compound ID |
CP0421677
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| Compound Name |
4S)4-{[(4-{[1-(Methoxyacetyl)piperidin-4-yl]methoxy}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C36H49N5O9
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| Molecular Weight |
695.814
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(=O)COC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C36H49N5O9/c1-3-4-8-21-49-36(47)41-19-17-40(18-20-41)35(46)29(11-12-33(43)44)38-34(45)31-23-28(22-30(37-31)27-9-6-5-7-10-27)50-24-26-13-15-39(16-14-26)32(42)25-48-2/h5-7,9-10,22-23,26,29H,3-4,8,11-21,24-25H2,1-2H3,(H,38,45)(H,43,44)/t29-/m0/s1
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| InChIKey |
CRYPHWULNSTENV-LJAQVGFWSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound