General Information of the Compound
| Compound ID |
CP0482446
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| Compound Name |
(4S)-4-[[5-(2-cyclobutyl-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 |
C28H35N5O8
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| Molecular Weight |
569.615
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)C2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H35N5O8/c1-2-40-28(39)32-15-13-31(14-16-32)27(38)21(11-12-25(35)36)29-26(37)22-17-24(41-18-23(34)19-7-6-8-19)33(30-22)20-9-4-3-5-10-20/h3-5,9-10,17,19,21H,2,6-8,11-16,18H2,1H3,(H,29,37)(H,35,36)/t21-/m0/s1
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| InChIKey |
UZXYCDYCNCJWCH-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