General Information of the Compound
| Compound ID |
CP0439241
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| Compound Name |
(S)-4-(6-(4-(azetidine-1-carbonyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C35H47N7O7
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| Molecular Weight |
677.803
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCC1
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| InChI |
InChI=1S/C35H47N7O7/c1-2-3-7-23-49-35(48)42-21-19-41(20-22-42)34(47)27(11-12-30(43)44)37-32(45)28-24-29(38-31(36-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)33(46)40-15-8-16-40/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,37,45)(H,43,44)/t27-/m0/s1
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| InChIKey |
QKISLPHRWUZKHU-MHZLTWQESA-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