General Information of the Compound
| Compound ID |
CP0386650
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| Compound Name |
US9340500, I-060
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| Structure |
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| Formula |
C32H33F3N4O2
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| Molecular Weight |
562.636
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)N(C)CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C32H33F3N4O2/c1-22-28(30(40)36-26-13-8-12-25(20-26)32(33,34)35)21-29(23-10-6-5-7-11-23)39(22)19-9-18-38(4)31(41)24-14-16-27(17-15-24)37(2)3/h5-8,10-17,20-21H,9,18-19H2,1-4H3,(H,36,40)
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| InChIKey |
IKBRTTSXAPSYOJ-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