General Information of the Compound
| Compound ID |
CP0199382
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| Compound Name |
US10196374, Example 6
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| Structure |
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| Formula |
C26H24ClF3N4O3
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| Molecular Weight |
532.95
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H24ClF3N4O3/c1-15(2)23(32-25(36)26(28,29)30)24(16-5-4-6-18(27)11-16)37-20-8-9-21-17(12-20)13-31-34(21)19-7-10-22(35)33(3)14-19/h4-15,23-24H,1-3H3,(H,32,36)/t23-,24+/m0/s1
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| InChIKey |
DPAAYBADQOGZSY-BJKOFHAPSA-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