General Information of the Compound
| Compound ID |
CP0208537
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| Compound Name |
CHEMBL2315926
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| Formula |
C26H31F3N6O2S
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| Molecular Weight |
548.635
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| Canonical SMILES |
CC(C)c1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C26H31F3N6O2S/c1-15(2)24-31-10-21(38-24)25(37)7-5-18(6-8-25)35-12-17(13-35)34-22(36)11-30-23-19-9-16(26(27,28)29)3-4-20(19)32-14-33-23/h3-4,9-10,14-15,17-18,37H,5-8,11-13H2,1-2H3,(H,34,36)(H,30,32,33)/t18-,25-
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| InChIKey |
JFVMCTNIXRINDX-YGFACIEFSA-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