General Information of the Compound
| Compound ID |
CP0494778
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| Compound Name |
(S)-4-(6-(3-ethoxyazetidin-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 |
C31H42N6O7
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| Molecular Weight |
610.712
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC(C1)OCC
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| InChI |
InChI=1S/C31H42N6O7/c1-3-5-9-18-44-31(42)36-16-14-35(15-17-36)30(41)24(12-13-27(38)39)33-29(40)25-19-26(37-20-23(21-37)43-4-2)34-28(32-25)22-10-7-6-8-11-22/h6-8,10-11,19,23-24H,3-5,9,12-18,20-21H2,1-2H3,(H,33,40)(H,38,39)/t24-/m0/s1
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| InChIKey |
RHDIKXVQQLTBEO-DEOSSOPVSA-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