General Information of the Compound
| Compound ID |
CP0553487
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[5-[2-oxo-2-[(2S)-2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]ethoxy]-1-phenylpyrazole-3-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C32H43N7O9
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| Molecular Weight |
669.736
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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]2C(=O)NC(C)C)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H43N7O9/c1-4-47-32(46)37-17-15-36(16-18-37)31(45)23(12-13-28(41)42)34-29(43)24-19-27(39(35-24)22-9-6-5-7-10-22)48-20-26(40)38-14-8-11-25(38)30(44)33-21(2)3/h5-7,9-10,19,21,23,25H,4,8,11-18,20H2,1-3H3,(H,33,44)(H,34,43)(H,41,42)/t23-,25-/m0/s1
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| InChIKey |
VSFXRBVCYLPUQF-ZCYQVOJMSA-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