General Information of the Compound
| Compound ID |
CP0531197
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| Compound Name |
(S)-4-(4-(4-(diethylcarbamoyl)piperidin-1-yl)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C36H51N7O7
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| Molecular Weight |
693.846
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC
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| InChI |
InChI=1S/C36H51N7O7/c1-4-7-11-24-50-36(49)43-22-20-42(21-23-43)35(48)28(14-15-31(44)45)38-33(46)32-37-29(26-12-9-8-10-13-26)25-30(39-32)41-18-16-27(17-19-41)34(47)40(5-2)6-3/h8-10,12-13,25,27-28H,4-7,11,14-24H2,1-3H3,(H,38,46)(H,44,45)/t28-/m0/s1
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| InChIKey |
WPUVIRLKGYXAFW-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