General Information of the Compound
| Compound ID |
CP0547031
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| Compound Name |
CHEMBL4249171
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| Formula |
C25H26FN7O3
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| Molecular Weight |
491.527
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| Canonical SMILES |
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1ncnc2c(Nc3ccc(cc3F)C#N)ncnc12
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| InChI |
InChI=1S/C25H26FN7O3/c1-25(2,3)36-24(34)33-15-5-6-16(33)10-17(9-15)35-23-21-20(28-13-31-23)22(30-12-29-21)32-19-7-4-14(11-27)8-18(19)26/h4,7-8,12-13,15-17H,5-6,9-10H2,1-3H3,(H,29,30,32)/t15-,16+,17-
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| InChIKey |
KXUACYKENBYDPK-BJWYYQGGSA-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