General Information of the Compound
| Compound ID |
CP0516367
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| Compound Name |
US9340500, I-099
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| Structure |
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| Formula |
C22H28F3N3O
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| Molecular Weight |
407.48
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| Canonical SMILES |
Cc1c(cc(n1C1CCNCC1)C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H28F3N3O/c1-14-18(20(29)27-16-7-5-6-15(12-16)22(23,24)25)13-19(21(2,3)4)28(14)17-8-10-26-11-9-17/h5-7,12-13,17,26H,8-11H2,1-4H3,(H,27,29)
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| InChIKey |
LANRYWWLDABECP-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