General Information of the Compound
| Compound ID |
CP0482443
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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-phenylmethoxycarbonylpiperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C38H45N7O9
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| Molecular Weight |
743.818
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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)OCc1ccccc1
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| InChI |
InChI=1S/C38H45N7O9/c46-32(44-18-8-15-31(44)36(50)39-27-11-7-12-27)25-53-33-23-30(41-45(33)28-13-5-2-6-14-28)35(49)40-29(16-17-34(47)48)37(51)42-19-21-43(22-20-42)38(52)54-24-26-9-3-1-4-10-26/h1-6,9-10,13-14,23,27,29,31H,7-8,11-12,15-22,24-25H2,(H,39,50)(H,40,49)(H,47,48)/t29-,31-/m0/s1
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| InChIKey |
ZCXOXKMUMNDDOV-SMCANUKXSA-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