General Information of the Compound
| Compound ID |
CP0499612
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| Compound Name |
US9346786, 52
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| Structure |
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| Formula |
C30H34F3N3O4
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| Molecular Weight |
557.613
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H34F3N3O4/c1-3-36(29(39)40-22-7-5-21(31)6-8-22)26-18-35(17-23(26)20-4-9-24(32)25(33)16-20)27(37)19-10-14-34(15-11-19)28(38)30(2)12-13-30/h4-9,16,19,23,26H,3,10-15,17-18H2,1-2H3/t23-,26+/m0/s1
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| InChIKey |
MLWPXWLOQRKWON-JYFHCDHNSA-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