General Information of the Compound
| Compound ID |
CP0520409
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| Compound Name |
(4S)4-{[(4-{[1-(Ethylsulfonyl)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 |
C35H49N5O9S
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| Molecular Weight |
715.87
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)S(=O)(=O)CC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C35H49N5O9S/c1-3-5-9-22-48-35(45)39-20-18-38(19-21-39)34(44)29(12-13-32(41)42)37-33(43)31-24-28(23-30(36-31)27-10-7-6-8-11-27)49-25-26-14-16-40(17-15-26)50(46,47)4-2/h6-8,10-11,23-24,26,29H,3-5,9,12-22,25H2,1-2H3,(H,37,43)(H,41,42)/t29-/m0/s1
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| InChIKey |
KYAHGARPDXEHOA-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