General Information of the Compound
| Compound ID |
CP0105439
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| Compound Name |
CHEMBL1289387
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
Cc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
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| InChI |
InChI=1S/C23H22F3N3O3/c1-14-4-2-3-5-19(14)29-13-22(32-21(29)30)10-8-15(9-11-22)20-27-17-7-6-16(12-18(17)28-20)31-23(24,25)26/h2-7,12,15H,8-11,13H2,1H3,(H,27,28)/t15-,22-
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| InChIKey |
JPBNBHCANXCOGP-VVONHTQRSA-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