General Information of the Compound
| Compound ID |
CP0465793
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| Compound Name |
US9428500, 22
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| Structure |
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| Formula |
C36H36F3N5
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| Molecular Weight |
595.713
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| Canonical SMILES |
CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1
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| InChI |
InChI=1S/C36H36F3N5/c1-42-18-15-30(16-19-42)44-22-20-43(21-23-44)29-11-8-25(9-12-29)28-10-13-33-31(24-28)34-27(14-17-40-35(34)41-33)7-6-26-4-2-3-5-32(26)36(37,38)39/h2-14,17,24,30H,15-16,18-23H2,1H3,(H,40,41)/b7-6+
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| InChIKey |
FGMUABGJGHKPSH-VOTSOKGWSA-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