General Information of the Compound
| Compound ID |
CP0464464
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| Compound Name |
US9062048, 45
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| Formula |
C24H31F3N6O2
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| Molecular Weight |
492.546
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| Canonical SMILES |
CCC(=O)N(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C24H31F3N6O2/c1-3-22(35)32(2)17-5-7-18(8-6-17)33-12-16(13-33)31-21(34)11-28-23-19-10-15(24(25,26)27)4-9-20(19)29-14-30-23/h4,9-10,14,16-18H,3,5-8,11-13H2,1-2H3,(H,31,34)(H,28,29,30)/t17-,18+
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| InChIKey |
RDMCZJRITMZVQR-HDICACEKSA-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