General Information of the Compound
| Compound ID |
CP0452748
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| Compound Name |
(4S)-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxo-5-(4-propoxycarbonylpiperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C34H45N7O9
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| Molecular Weight |
695.774
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| Canonical SMILES |
CCCOC(=O)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/C34H45N7O9/c1-2-20-49-34(48)39-18-16-38(17-19-39)33(47)25(13-14-30(43)44)36-31(45)26-21-29(41(37-26)24-10-4-3-5-11-24)50-22-28(42)40-15-7-12-27(40)32(46)35-23-8-6-9-23/h3-5,10-11,21,23,25,27H,2,6-9,12-20,22H2,1H3,(H,35,46)(H,36,45)(H,43,44)/t25-,27-/m0/s1
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| InChIKey |
DUHQLWJEMNMRRC-BDYUSTAISA-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