General Information of the Compound
| Compound ID |
CP0504265
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| Compound Name |
(S)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-5-oxo-4-(6-phenyl-4-(tetrahydro-2H-pyran-4-ylamino)picolinamido)pentanoic acid
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| Structure |
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| Formula |
C29H37N5O7
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| Molecular Weight |
567.643
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC2CCOCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H37N5O7/c1-2-41-29(39)34-14-12-33(13-15-34)28(38)23(8-9-26(35)36)32-27(37)25-19-22(30-21-10-16-40-17-11-21)18-24(31-25)20-6-4-3-5-7-20/h3-7,18-19,21,23H,2,8-17H2,1H3,(H,30,31)(H,32,37)(H,35,36)/t23-/m0/s1
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| InChIKey |
KNBUJJVQJZAVBH-QHCPKHFHSA-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