General Information of the Compound
| Compound ID |
CP0452823
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| Compound Name |
(4S)-4-[(6-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 |
CCCCc1cc(nc(n1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC
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| InChI |
InChI=1S/C27H35N5O6/c1-3-5-11-20-18-22(29-24(28-20)19-9-7-6-8-10-19)25(35)30-21(12-13-23(33)34)26(36)31-14-16-32(17-15-31)27(37)38-4-2/h6-10,18,21H,3-5,11-17H2,1-2H3,(H,30,35)(H,33,34)/t21-/m0/s1
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| InChIKey |
HIZOTAWTPMIDDW-NRFANRHFSA-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