General Information of the Compound
| Compound ID |
CP0427127
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| Compound Name |
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(2-(diethylamino)ethoxy)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C31H44N6O7
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| Molecular Weight |
612.728
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCN(CC)CC)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H44N6O7/c1-4-7-20-44-31(42)37-17-15-36(16-18-37)30(41)24(13-14-27(38)39)33-29(40)25-22-26(43-21-19-35(5-2)6-3)34-28(32-25)23-11-9-8-10-12-23/h8-12,22,24H,4-7,13-21H2,1-3H3,(H,33,40)(H,38,39)/t24-/m0/s1
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| InChIKey |
QTXCIJBNAVVGPX-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