General Information of the Compound
| Compound ID |
CP0562918
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| Compound Name |
CHEMBL4745137
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| Formula |
C19H19F2N3O3
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| Molecular Weight |
375.375
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| Canonical SMILES |
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)ccc(F)c2C1=O
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| InChI |
InChI=1S/C19H19F2N3O3/c1-24-14-9-22-16(23-10-2-4-11(25)5-3-10)8-15(14)27-18-13(21)7-6-12(20)17(18)19(24)26/h6-11,25H,2-5H2,1H3,(H,22,23)/t10-,11-
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| InChIKey |
ZUMVFUXUAZHFMC-XYPYZODXSA-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