General Information of the Compound
| Compound ID |
CP0566106
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| Compound Name |
CHEMBL3884532
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| Formula |
C23H24F3N3O
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| Molecular Weight |
415.459
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| Canonical SMILES |
FC(F)(F)c1c(O[C@H]2CC[C@@H](CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
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| InChI |
InChI=1S/C23H24F3N3O/c24-23(25,26)21-19(12-13-29-20(14-15-6-7-15)27-28-22(21)29)30-18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-5,12-13,15,17-18H,6-11,14H2/t17-,18-
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| InChIKey |
PFJJRBBDPVGGQD-IYARVYRRSA-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