General Information of the Compound
| Compound ID |
CP0494772
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| Compound Name |
(S)-4-(6-(4-(2-(dimethylamino)ethyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C35H51N7O6
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| Molecular Weight |
665.836
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CCN(C)C)CC1
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| InChI |
InChI=1S/C35H51N7O6/c1-4-5-9-24-48-35(47)42-22-20-41(21-23-42)34(46)28(12-13-31(43)44)37-33(45)29-25-30(38-32(36-29)27-10-7-6-8-11-27)40-18-15-26(16-19-40)14-17-39(2)3/h6-8,10-11,25-26,28H,4-5,9,12-24H2,1-3H3,(H,37,45)(H,43,44)/t28-/m0/s1
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| InChIKey |
QBDNYYHDNMVTQR-NDEPHWFRSA-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