General Information of the Compound
| Compound ID |
CP0376802
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[5-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethoxy]-1-phenylpyrazole-3-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C34H40N6O8
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| Molecular Weight |
660.728
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2c2ccccc2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H40N6O8/c1-2-47-34(46)38-20-18-37(19-21-38)33(45)26(15-16-31(42)43)35-32(44)27-22-30(40(36-27)25-12-7-4-8-13-25)48-23-29(41)39-17-9-14-28(39)24-10-5-3-6-11-24/h3-8,10-13,22,26,28H,2,9,14-21,23H2,1H3,(H,35,44)(H,42,43)/t26-,28-/m0/s1
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| InChIKey |
SJJFTMOQIHGUBG-XCZPVHLTSA-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