General Information of the Compound
| Compound ID |
CP0495649
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| Compound Name |
ethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-4-(2H-tetrazol-5-yl)butanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C33H43N11O7
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| Molecular Weight |
705.777
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H43N11O7/c1-2-50-33(49)42-18-16-41(17-19-42)32(48)24(13-14-27-36-39-40-37-27)35-30(46)25-20-29(44(38-25)23-10-4-3-5-11-23)51-21-28(45)43-15-7-12-26(43)31(47)34-22-8-6-9-22/h3-5,10-11,20,22,24,26H,2,6-9,12-19,21H2,1H3,(H,34,47)(H,35,46)(H,36,37,39,40)/t24-,26-/m0/s1
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| InChIKey |
HEEIRXBNUQEWOO-AHWVRZQESA-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