General Information of the Compound
| Compound ID |
CP0523457
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| Compound Name |
(4S)-4-[[5-[2-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-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 |
C33H45N7O9
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| Molecular Weight |
683.763
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H45N7O9/c1-5-48-32(47)38-18-16-37(17-19-38)31(46)23(13-14-28(42)43)34-29(44)24-20-27(40(36-24)22-10-7-6-8-11-22)49-21-26(41)39-15-9-12-25(39)30(45)35-33(2,3)4/h6-8,10-11,20,23,25H,5,9,12-19,21H2,1-4H3,(H,34,44)(H,35,45)(H,42,43)/t23-,25-/m0/s1
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| InChIKey |
PPEVADRKIKQWMG-ZCYQVOJMSA-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