General Information of the Compound
| Compound ID |
CP0492576
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| Compound Name |
US9428501, 14
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| Structure |
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| Formula |
C33H36F3N5O2
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| Molecular Weight |
591.678
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1
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| InChI |
InChI=1S/C33H36F3N5O2/c1-43-28-9-4-24(5-10-28)21-39-14-12-25(13-15-39)26-6-11-29-30(20-26)38-31(37-29)32(42)41-18-16-40(17-19-41)22-23-2-7-27(8-3-23)33(34,35)36/h2-11,20,25H,12-19,21-22H2,1H3,(H,37,38)
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| InChIKey |
DCOPJZULHMHERN-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