General Information of the Compound
| Compound ID |
CP0456328
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| Compound Name |
(4S)-4-[(6-tert-butyl-2-phenylpyrimidine-4-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C27H35N5O6
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| Molecular Weight |
525.606
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C(C)(C)C
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| InChI |
InChI=1S/C27H35N5O6/c1-5-38-26(37)32-15-13-31(14-16-32)25(36)19(11-12-22(33)34)29-24(35)20-17-21(27(2,3)4)30-23(28-20)18-9-7-6-8-10-18/h6-10,17,19H,5,11-16H2,1-4H3,(H,29,35)(H,33,34)/t19-/m0/s1
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| InChIKey |
SVTHVVJIJPJGMZ-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