General Information of the Compound
| Compound ID |
CP0403610
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| Compound Name |
2-[4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-6-chloropyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C25H33ClN4O2S2
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| Molecular Weight |
521.152
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)n1)C(O)=O
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| InChI |
InChI=1S/C25H33ClN4O2S2/c1-2-3-4-5-6-18(22(31)32)34-24-28-20(26)10-21(30-24)29-23-27-19(14-33-23)25-11-15-7-16(12-25)9-17(8-15)13-25/h10,14-18H,2-9,11-13H2,1H3,(H,31,32)(H,27,28,29,30)
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| InChIKey |
XOPOHNCFLHDJSL-UHFFFAOYSA-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