General Information of the Compound
| Compound ID |
CP0513074
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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]propanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C31H41N7O7
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| Molecular Weight |
623.711
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H41N7O7/c1-3-44-31(43)36-17-15-35(16-18-36)30(42)21(2)32-28(40)24-19-27(38(34-24)23-11-5-4-6-12-23)45-20-26(39)37-14-8-13-25(37)29(41)33-22-9-7-10-22/h4-6,11-12,19,21-22,25H,3,7-10,13-18,20H2,1-2H3,(H,32,40)(H,33,41)/t21-,25-/m0/s1
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| InChIKey |
LRSVBIQNGGSYIV-OFVILXPXSA-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