General Information of the Compound
| Compound ID |
CP0518574
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| Compound Name |
US8772323, 248
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| Structure |
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| Formula |
C26H29FN4O3
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| Molecular Weight |
464.541
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCC(F)CC2)cc1
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| InChI |
InChI=1S/C26H29FN4O3/c1-2-17-16-24(32)29-30-25(17)19-5-8-22-23(15-19)34-26(28-22)18-3-6-21(7-4-18)33-14-13-31-11-9-20(27)10-12-31/h3-8,15,17,20H,2,9-14,16H2,1H3,(H,29,32)
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| InChIKey |
JFEPSLUISUHLTI-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