General Information of the Compound
| Compound ID |
CP0495650
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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-cyclobutyloxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C35H45N7O9
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| Molecular Weight |
707.785
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OC1CCC1
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| InChI |
InChI=1S/C35H45N7O9/c43-29(41-16-6-13-28(41)33(47)36-23-7-4-8-23)22-50-30-21-27(38-42(30)24-9-2-1-3-10-24)32(46)37-26(14-15-31(44)45)34(48)39-17-19-40(20-18-39)35(49)51-25-11-5-12-25/h1-3,9-10,21,23,25-26,28H,4-8,11-20,22H2,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1
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| InChIKey |
ZYGVAQWZGGWPEP-XCZPVHLTSA-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