General Information of the Compound
| Compound ID |
CP0445679
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| Compound Name |
CHEMBL4240742
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| Formula |
C26H38F2N6OS
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| Molecular Weight |
520.694
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cscn1
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| InChI |
InChI=1S/C26H38F2N6OS/c1-16(2)24-32-31-17(3)34(24)21-12-19-4-5-20(13-21)33(19)11-8-22(23-14-36-15-29-23)30-25(35)18-6-9-26(27,28)10-7-18/h14-16,18-22H,4-13H2,1-3H3,(H,30,35)/t19-,20+,21-,22-/m0/s1
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| InChIKey |
RKTSRDCWOLYNCZ-LRSLUSHPSA-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