General Information of the Compound
| Compound ID |
CP0497642
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| Compound Name |
US9469631, 106
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| Structure |
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| Formula |
C27H30FN3O3
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| Molecular Weight |
463.553
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(C#N)c(F)c1
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| InChI |
InChI=1S/C27H30FN3O3/c1-27(2,3)34-26(33)30-14-12-23(13-15-30)31(22-10-11-22)25(32)19-6-4-18(5-7-19)20-8-9-21(17-29)24(28)16-20/h4-9,16,22-23H,10-15H2,1-3H3
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| InChIKey |
JMQADAQXGBHCPZ-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