General Information of the Compound
| Compound ID |
CP0376806
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H36N6O9
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| Molecular Weight |
600.629
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CC[C@@H](O)C2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H36N6O9/c1-2-42-28(41)32-14-12-31(13-15-32)27(40)21(8-9-25(37)38)29-26(39)22-16-24(34(30-22)19-6-4-3-5-7-19)43-18-23(36)33-11-10-20(35)17-33/h3-7,16,20-21,35H,2,8-15,17-18H2,1H3,(H,29,39)(H,37,38)/t20-,21+/m1/s1
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| InChIKey |
NYKNIJKWPCYBKO-RTWAWAEBSA-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