General Information of the Compound
| Compound ID |
CP0413943
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| Compound Name |
(4S)-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-[4-(3-methoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid
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| Structure |
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| Formula |
C37H45N7O8
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| Molecular Weight |
715.808
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| Canonical SMILES |
COc1cccc(c1)N1CCN(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/C37H45N7O8/c1-51-28-13-6-12-27(22-28)41-18-20-42(21-19-41)37(50)29(15-16-34(46)47)39-35(48)30-23-33(44(40-30)26-10-3-2-4-11-26)52-24-32(45)43-17-7-14-31(43)36(49)38-25-8-5-9-25/h2-4,6,10-13,22-23,25,29,31H,5,7-9,14-21,24H2,1H3,(H,38,49)(H,39,48)(H,46,47)/t29-,31-/m0/s1
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| InChIKey |
GIKIIOPLMWUVJL-SMCANUKXSA-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