General Information of the Compound
| Compound ID |
CP0541511
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| Compound Name |
(S)-4-(4-(4-(2-methoxyethoxy)piperidin-1-yl)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C34H48N6O8
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| Molecular Weight |
668.792
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CC1)OCCOC
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| InChI |
InChI=1S/C34H48N6O8/c1-3-4-8-21-48-34(45)40-19-17-39(18-20-40)33(44)27(11-12-30(41)42)36-32(43)31-35-28(25-9-6-5-7-10-25)24-29(37-31)38-15-13-26(14-16-38)47-23-22-46-2/h5-7,9-10,24,26-27H,3-4,8,11-23H2,1-2H3,(H,36,43)(H,41,42)/t27-/m0/s1
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| InChIKey |
DFPBTPLZBKQSDL-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