General Information of the Compound
| Compound ID |
CP0550688
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| Compound Name |
US10077266, Example 34
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| Structure |
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| Formula |
C24H29F4N5O3
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| Molecular Weight |
511.52
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| Canonical SMILES |
COCC(=O)N1CCc2nc(NCC(F)F)c(nc2C1C)N1CCC(CC1)Oc1ccc(F)cc1F
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| InChI |
InChI=1S/C24H29F4N5O3/c1-14-22-18(7-10-33(14)21(34)13-35-2)30-23(29-12-20(27)28)24(31-22)32-8-5-16(6-9-32)36-19-4-3-15(25)11-17(19)26/h3-4,11,14,16,20H,5-10,12-13H2,1-2H3,(H,29,30)
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| InChIKey |
NSRYHIBBVMQNQM-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