General Information of the Compound
| Compound ID |
CP0562079
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| Compound Name |
CHEMBL4849005
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| Formula |
C23H26FN3O2
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| Molecular Weight |
395.478
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| Canonical SMILES |
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H26FN3O2/c1-23(2,29)17-6-10-19(11-7-17)25-22(28)16-5-12-21-26-20(14-27(21)13-16)15-3-8-18(24)9-4-15/h3-5,8-9,12-14,17,19,29H,6-7,10-11H2,1-2H3,(H,25,28)/t17-,19-
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| InChIKey |
HGMPCJRNSLMHIP-UAPYVXQJSA-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