General Information of the Compound
| Compound ID |
CP0485631
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| Compound Name |
CHEMBL3918367
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| Formula |
C22H22F3N3O2
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| Molecular Weight |
417.431
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| Canonical SMILES |
Cc1cccc2n([C@H]3CC[C@H](O)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc12
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| InChI |
InChI=1S/C22H22F3N3O2/c1-13-4-2-7-18-19(13)26-21(28(18)16-8-10-17(29)11-9-16)27-20(30)14-5-3-6-15(12-14)22(23,24)25/h2-7,12,16-17,29H,8-11H2,1H3,(H,26,27,30)/t16-,17-
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| InChIKey |
RNUPNZIBAJHWTG-QAQDUYKDSA-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