General Information of the Compound
| Compound ID |
CP0428824
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| Compound Name |
US9340500, I-038
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| Structure |
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| Formula |
C30H39F3N4O
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| Molecular Weight |
528.663
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| Canonical SMILES |
CN(C)CC(C)(C)CN(C)CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H39F3N4O/c1-22-26(28(38)34-25-15-10-14-24(18-25)30(31,32)33)19-27(23-12-8-7-9-13-23)37(22)17-11-16-36(6)21-29(2,3)20-35(4)5/h7-10,12-15,18-19H,11,16-17,20-21H2,1-6H3,(H,34,38)
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| InChIKey |
MGMYFEKOXVOISQ-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