General Information of the Compound
| Compound ID |
CP0477062
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| Compound Name |
CHEMBL4569726
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| Formula |
C25H33FN4O3
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| Molecular Weight |
456.562
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| Canonical SMILES |
CN(C)C(=O)c1ccc(Nc2ncnc(O[C@H]3CC[C@@]4(COC(C)(C)C4)CC3)c2C)c(F)c1
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| InChI |
InChI=1S/C25H33FN4O3/c1-16-21(29-20-7-6-17(12-19(20)26)23(31)30(4)5)27-15-28-22(16)33-18-8-10-25(11-9-18)13-24(2,3)32-14-25/h6-7,12,15,18H,8-11,13-14H2,1-5H3,(H,27,28,29)/t18-,25+
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| InChIKey |
DSTLJVYPGFRBGJ-HMRCJKRNSA-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