General Information of the Compound
| Compound ID |
CP0544460
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| Compound Name |
(4S)-4-[[5-[2-[(2S)-2-carbamoylpyrrolidin-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 |
C29H37N7O9
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| Molecular Weight |
627.655
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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(N)=O)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H37N7O9/c1-2-44-29(43)34-15-13-33(14-16-34)28(42)20(10-11-25(38)39)31-27(41)21-17-24(36(32-21)19-7-4-3-5-8-19)45-18-23(37)35-12-6-9-22(35)26(30)40/h3-5,7-8,17,20,22H,2,6,9-16,18H2,1H3,(H2,30,40)(H,31,41)(H,38,39)/t20-,22-/m0/s1
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| InChIKey |
BATFERYXLOIMMT-UNMCSNQZSA-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