General Information of the Compound
| Compound ID |
CP0397784
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| Compound Name |
CHEMBL3426061
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| Formula |
C21H22F3N5OS
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| Molecular Weight |
449.502
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| Canonical SMILES |
CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(cc(cc12)-c1cncs1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N5OS/c1-11-27-18-15(7-13(17-9-26-10-31-17)8-16(18)21(22,23)24)19(28-11)29-14-5-3-12(4-6-14)20(30)25-2/h7-10,12,14H,3-6H2,1-2H3,(H,25,30)(H,27,28,29)/t12-,14-
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| InChIKey |
QADCFCAKUGGZJW-MQMHXKEQSA-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