General Information of the Compound
| Compound ID |
CP0523037
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| Compound Name |
(4S)-4-[[6-(2-carboxyethylamino)-2-phenylpyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C26H32N6O8
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| Molecular Weight |
556.576
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCC(O)=O)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C26H32N6O8/c1-2-40-26(39)32-14-12-31(13-15-32)25(38)18(8-9-21(33)34)29-24(37)19-16-20(27-11-10-22(35)36)30-23(28-19)17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3,(H,29,37)(H,33,34)(H,35,36)(H,27,28,30)/t18-/m0/s1
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| InChIKey |
ZWGMPBRULMDHSP-SFHVURJKSA-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