General Information of the Compound
| Compound ID |
CP0502339
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| Compound Name |
(4S)-4-(4-(3-(diethylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C37H52N6O7
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| Molecular Weight |
692.858
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCCC(C1)C(=O)N(CC)CC
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| InChI |
InChI=1S/C37H52N6O7/c1-4-7-11-23-50-37(49)42-21-19-41(20-22-42)36(48)30(16-17-33(44)45)39-34(46)32-25-29(24-31(38-32)27-13-9-8-10-14-27)43-18-12-15-28(26-43)35(47)40(5-2)6-3/h8-10,13-14,24-25,28,30H,4-7,11-12,15-23,26H2,1-3H3,(H,39,46)(H,44,45)/t28?,30-/m0/s1
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| InChIKey |
ODYRJMQJGGUTNZ-TXDWVUBVSA-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