General Information of the Compound
| Compound ID |
CP0468385
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| Compound Name |
US9062048, 115
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| Formula |
C26H35F3N6O2
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| Molecular Weight |
520.6
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| Canonical SMILES |
CC(C)N(C[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(C)=O
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| InChI |
InChI=1S/C26H35F3N6O2/c1-16(2)35(17(3)36)12-18-4-7-21(8-5-18)34-13-20(14-34)33-24(37)11-30-25-22-10-19(26(27,28)29)6-9-23(22)31-15-32-25/h6,9-10,15-16,18,20-21H,4-5,7-8,11-14H2,1-3H3,(H,33,37)(H,30,31,32)/t18-,21+
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| InChIKey |
RNEZHJOWCDYTMP-RVWIWJKTSA-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