General Information of the Compound
| Compound ID |
CP0331580
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| Compound Name |
CHEMBL2315925
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| Formula |
C24H27F3N6O2S
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| Molecular Weight |
520.581
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| Canonical SMILES |
Cc1ncc(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/C24H27F3N6O2S/c1-14-28-9-20(36-14)23(35)6-4-17(5-7-23)33-11-16(12-33)32-21(34)10-29-22-18-8-15(24(25,26)27)2-3-19(18)30-13-31-22/h2-3,8-9,13,16-17,35H,4-7,10-12H2,1H3,(H,32,34)(H,29,30,31)/t17-,23-
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| InChIKey |
AFSXROFWADTOSY-QBNMFFNISA-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