General Information of the Compound
| Compound ID |
CP0513080
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| Compound Name |
(4S)-4-[[5-[2-[3-(cyclobutylcarbamoyl)azetidin-1-yl]-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 |
C32H41N7O9
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| Molecular Weight |
667.72
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CC(C2)C(=O)NC2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H41N7O9/c1-2-47-32(46)37-15-13-36(14-16-37)31(45)24(11-12-28(41)42)34-30(44)25-17-27(39(35-25)23-9-4-3-5-10-23)48-20-26(40)38-18-21(19-38)29(43)33-22-7-6-8-22/h3-5,9-10,17,21-22,24H,2,6-8,11-16,18-20H2,1H3,(H,33,43)(H,34,44)(H,41,42)/t24-/m0/s1
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| InChIKey |
NEOPAGBOYFPYRC-DEOSSOPVSA-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