General Information of the Compound
| Compound ID |
CP0452749
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| Compound Name |
(4S)-4-[[5-[2-(diethylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H38N6O8
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| Molecular Weight |
586.646
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N(CC)CC)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H38N6O8/c1-4-31(5-2)23(35)19-42-24-18-22(30-34(24)20-10-8-7-9-11-20)26(38)29-21(12-13-25(36)37)27(39)32-14-16-33(17-15-32)28(40)41-6-3/h7-11,18,21H,4-6,12-17,19H2,1-3H3,(H,29,38)(H,36,37)/t21-/m0/s1
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| InChIKey |
VXUSTAVEUKPFFH-NRFANRHFSA-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