General Information of the Compound
| Compound ID |
CP0450576
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| Compound Name |
US9233953, 15
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| Structure |
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| Formula |
C21H21F5N4O3S
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| Molecular Weight |
504.481
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| Canonical SMILES |
Fc1ccc([C@H]2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ncc(cn2)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C21H21F5N4O3S/c22-15-1-2-16(17(23)9-15)18-12-29(20-27-10-14(11-28-20)21(24,25)26)5-6-30(18)19(31)13-3-7-34(32,33)8-4-13/h1-2,9-11,13,18H,3-8,12H2/t18-/m1/s1
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| InChIKey |
KHNIIFGKLRLLQH-GOSISDBHSA-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