General Information of the Compound
| Compound ID |
CP0565821
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| Compound Name |
(4S)-5-[4-(butoxycarbonylamino)piperidin-1-yl]-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C36H49N7O9
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| Molecular Weight |
723.828
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| Canonical SMILES |
CCCCOC(=O)NC1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C36H49N7O9/c1-2-3-21-51-36(50)38-25-16-19-41(20-17-25)35(49)27(14-15-32(45)46)39-33(47)28-22-31(43(40-28)26-11-5-4-6-12-26)52-23-30(44)42-18-8-13-29(42)34(48)37-24-9-7-10-24/h4-6,11-12,22,24-25,27,29H,2-3,7-10,13-21,23H2,1H3,(H,37,48)(H,38,50)(H,39,47)(H,45,46)/t27-,29-/m0/s1
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| InChIKey |
SQHJPPLBQIFBAG-YTMVLYRLSA-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