General Information of the Compound
| Compound ID |
CP0254168
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| Compound Name |
CHEMBL2316210
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| Formula |
C23H25F3N6O2S
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| Molecular Weight |
506.554
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nncc2ccc(cc12)C(F)(F)F)c1cncs1
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| InChI |
InChI=1S/C23H25F3N6O2S/c24-23(25,26)15-2-1-14-8-29-31-21(18(14)7-15)28-10-20(33)30-16-11-32(12-16)17-3-5-22(34,6-4-17)19-9-27-13-35-19/h1-2,7-9,13,16-17,34H,3-6,10-12H2,(H,28,31)(H,30,33)/t17-,22-
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| InChIKey |
BNPNULATZGBRTD-VVOJOOEHSA-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