General Information of the Compound
| Compound ID |
CP0433211
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| Compound Name |
6-fluoro-8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
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| Structure |
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| Formula |
C21H17F4N3O
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| Molecular Weight |
403.379
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| Canonical SMILES |
OC1CCc2cc(F)cc(Nc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2C1
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| InChI |
InChI=1S/C21H17F4N3O/c22-15-7-13-3-6-16(29)9-17(13)19(8-15)28-20-10-18(26-11-27-20)12-1-4-14(5-2-12)21(23,24)25/h1-2,4-5,7-8,10-11,16,29H,3,6,9H2,(H,26,27,28)
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| InChIKey |
JWRFJKHYBQZYIN-UHFFFAOYSA-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
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1