General Information of the Compound
| Compound ID |
CP0394284
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| Compound Name |
CHEMBL4244470
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| Formula |
C28H39F3N6O
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| Molecular Weight |
532.655
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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)c1ccc(F)nc1
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| InChI |
InChI=1S/C28H39F3N6O/c1-17(2)26-35-34-18(3)37(26)23-14-21-5-6-22(15-23)36(21)13-10-24(20-4-7-25(29)32-16-20)33-27(38)19-8-11-28(30,31)12-9-19/h4,7,16-17,19,21-24H,5-6,8-15H2,1-3H3,(H,33,38)/t21-,22+,23-,24-/m0/s1
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| InChIKey |
ZMAZFLYNXDWFFF-KIHHCIJBSA-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