General Information of the Compound
| Compound ID |
CP0373486
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| Compound Name |
CHEMBL1209053
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| Formula |
C21H18F2N4OS
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| Molecular Weight |
412.465
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| Canonical SMILES |
Fc1cc(F)cc(c1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
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| InChI |
InChI=1S/C21H18F2N4OS/c22-13-5-12(6-14(23)7-13)20(28)27-9-16-15(17(16)10-27)8-25-21-26-19(11-29-21)18-3-1-2-4-24-18/h1-7,11,15-17H,8-10H2,(H,25,26)/t15-,16+,17-
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| InChIKey |
JWAOONWMLNPSIN-BJWYYQGGSA-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