General Information of the Compound
| Compound ID |
CP0439238
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| Compound Name |
(S)-4-(6-(cyclohexylthio)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C32H43N5O6S
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| Molecular Weight |
625.792
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(SC2CCCCC2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H43N5O6S/c1-2-3-10-21-43-32(42)37-19-17-36(18-20-37)31(41)25(15-16-28(38)39)34-30(40)26-22-27(44-24-13-8-5-9-14-24)35-29(33-26)23-11-6-4-7-12-23/h4,6-7,11-12,22,24-25H,2-3,5,8-10,13-21H2,1H3,(H,34,40)(H,38,39)/t25-/m0/s1
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| InChIKey |
BTDKNKMHPMAUTP-VWLOTQADSA-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