General Information of the Compound
| Compound ID |
CP0956951
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| Compound Name |
US9062048, 128
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| Structure |
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| Formula |
C23H29F3N6O2
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| Molecular Weight |
478.519
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| Canonical SMILES |
CN(C)C(=O)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
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| InChI |
InChI=1S/C23H29F3N6O2/c1-31(2)22(34)14-3-6-17(7-4-14)32-11-16(12-32)30-20(33)10-27-21-18-9-15(23(24,25)26)5-8-19(18)28-13-29-21/h5,8-9,13-14,16-17H,3-4,6-7,10-12H2,1-2H3,(H,30,33)(H,27,28,29)
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| InChIKey |
GIYOENVVCBLRNN-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