General Information of the Compound
| Compound ID |
CP0508198
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(3-hydroxypropylamino)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C26H34N6O7
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| Molecular Weight |
542.593
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCCO)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C26H34N6O7/c1-2-39-26(38)32-14-12-31(13-15-32)25(37)19(9-10-22(34)35)29-24(36)20-17-21(27-11-6-16-33)30-23(28-20)18-7-4-3-5-8-18/h3-5,7-8,17,19,33H,2,6,9-16H2,1H3,(H,29,36)(H,34,35)(H,27,28,30)/t19-/m0/s1
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| InChIKey |
ZHMDVTWPMNZCHU-IBGZPJMESA-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