General Information of the Compound
| Compound ID |
CP0544274
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| Compound Name |
US9428501, 36
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| Structure |
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| Formula |
C32H35F3N6O2
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| Molecular Weight |
592.666
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)c2ccn3cc(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1
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| InChI |
InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(19-36-30)21-38-11-8-25(9-12-38)26-10-13-41-22-28(37-29(41)18-26)31(42)40-16-14-39(15-17-40)20-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-19,22,25H,8-9,11-12,14-17,20-21H2,1H3
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| InChIKey |
VJJLOEINUZTPPF-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