General Information of the Compound
| Compound ID |
CP0316081
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| Compound Name |
CHEMBL2315941
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| Formula |
C24H26F3N5O2S
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| Molecular Weight |
505.566
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ccnc2ccc(cc12)C(F)(F)F)c1cncs1
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| InChI |
InChI=1S/C24H26F3N5O2S/c25-24(26,27)15-1-2-19-18(9-15)20(5-8-29-19)30-11-22(33)31-16-12-32(13-16)17-3-6-23(34,7-4-17)21-10-28-14-35-21/h1-2,5,8-10,14,16-17,34H,3-4,6-7,11-13H2,(H,29,30)(H,31,33)/t17-,23-
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| InChIKey |
LSNMCGAJTRFBRL-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