General Information of the Compound
| Compound ID |
CP0413944
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[5-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C32H40N8O8
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| Molecular Weight |
664.72
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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]2c2ncc(C)[nH]2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H40N8O8/c1-3-47-32(46)38-16-14-37(15-17-38)31(45)23(11-12-28(42)43)35-30(44)24-18-27(40(36-24)22-8-5-4-6-9-22)48-20-26(41)39-13-7-10-25(39)29-33-19-21(2)34-29/h4-6,8-9,18-19,23,25H,3,7,10-17,20H2,1-2H3,(H,33,34)(H,35,44)(H,42,43)/t23-,25-/m0/s1
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| InChIKey |
LHSSKYXYIJQMHP-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