General Information of the Compound
| Compound ID |
CP0549133
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| Compound Name |
CHEMBL4248733
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| Formula |
C28H40F2N6O
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| Molecular Weight |
514.665
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccnc1
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| InChI |
InChI=1S/C28H40F2N6O/c1-18(2)26-34-33-19(3)36(26)24-15-22-6-7-23(16-24)35(22)14-10-25(21-5-4-13-31-17-21)32-27(37)20-8-11-28(29,30)12-9-20/h4-5,13,17-18,20,22-25H,6-12,14-16H2,1-3H3,(H,32,37)/t22-,23+,24-,25-/m0/s1
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| InChIKey |
PEAADRHIUVMAIS-NDBXHCKUSA-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