General Information of the Compound
| Compound ID |
CP0565818
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| Compound Name |
ethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-4-methylpentanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C34H47N7O7
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| Molecular Weight |
665.792
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H47N7O7/c1-4-47-34(46)39-18-16-38(17-19-39)33(45)27(20-23(2)3)36-31(43)26-21-30(41(37-26)25-12-6-5-7-13-25)48-22-29(42)40-15-9-14-28(40)32(44)35-24-10-8-11-24/h5-7,12-13,21,23-24,27-28H,4,8-11,14-20,22H2,1-3H3,(H,35,44)(H,36,43)/t27-,28-/m0/s1
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| InChIKey |
DVIVWRMDYPINTI-NSOVKSMOSA-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