General Information of the Compound
| Compound ID |
CP0473782
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| Compound Name |
(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(4-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethyl)piperidin-1-yl)pyrimidine-2-carboxamido)pentanoic acid
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| Structure |
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| Formula |
C37H53N7O6
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| Molecular Weight |
691.874
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CCN2CCCC2)CC1
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| InChI |
InChI=1S/C37H53N7O6/c1-2-3-9-26-50-37(49)44-24-22-43(23-25-44)36(48)30(12-13-33(45)46)39-35(47)34-38-31(29-10-5-4-6-11-29)27-32(40-34)42-20-15-28(16-21-42)14-19-41-17-7-8-18-41/h4-6,10-11,27-28,30H,2-3,7-9,12-26H2,1H3,(H,39,47)(H,45,46)/t30-/m0/s1
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| InChIKey |
YJTDQHKQTYCSIG-PMERELPUSA-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