General Information of the Compound
| Compound ID |
CP0529861
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| Compound Name |
(4S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(2-phenyl-6-((tetrahydrofuran-2-yl)methoxy)pyrimidine-4-carboxamido)pentanoic acid
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| Structure |
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| Formula |
C30H39N5O8
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| Molecular Weight |
597.669
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCCO2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H39N5O8/c1-2-3-17-42-30(40)35-15-13-34(14-16-35)29(39)23(11-12-26(36)37)32-28(38)24-19-25(43-20-22-10-7-18-41-22)33-27(31-24)21-8-5-4-6-9-21/h4-6,8-9,19,22-23H,2-3,7,10-18,20H2,1H3,(H,32,38)(H,36,37)/t22?,23-/m0/s1
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| InChIKey |
CMPXHRVOTWOKFI-WCSIJFPASA-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