General Information of the Compound
| Compound ID |
CP0562873
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| Compound Name |
US9428501, 38
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| Structure |
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| Formula |
C32H34F4N6O2
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| Molecular Weight |
610.656
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3F)C(F)(F)F)CC2)cn1
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| InChI |
InChI=1S/C32H34F4N6O2/c1-44-29-7-2-21(18-37-29)19-40-10-8-22(9-11-40)23-4-6-27-28(16-23)39-30(38-27)31(43)42-14-12-41(13-15-42)20-24-3-5-25(17-26(24)33)32(34,35)36/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,38,39)
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| InChIKey |
YSDOFGBITHORQK-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