General Information of the Compound
| Compound ID |
CP0493196
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| Compound Name |
US9409917, 67
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| Structure |
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| Formula |
C21H22ClF2N3O2
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| Molecular Weight |
421.875
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| Canonical SMILES |
FC1(F)CCC(CNC(=O)C2CCOc3ncccc23)(CC1)c1ccc(Cl)nc1
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| InChI |
InChI=1S/C21H22ClF2N3O2/c22-17-4-3-14(12-26-17)20(6-8-21(23,24)9-7-20)13-27-18(28)15-5-11-29-19-16(15)2-1-10-25-19/h1-4,10,12,15H,5-9,11,13H2,(H,27,28)
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| InChIKey |
YGINLXCUJZESTO-UHFFFAOYSA-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