General Information of the Compound
| Compound ID |
CP0485489
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| Compound Name |
US9181249, 86
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| Structure |
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| Formula |
C23H29ClFN5O
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| Molecular Weight |
445.97
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| Canonical SMILES |
CC(C)Nc1nc2CN(C)CCc2nc1N1CCC(CC1)C(=O)c1cc(Cl)ccc1F
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| InChI |
InChI=1S/C23H29ClFN5O/c1-14(2)26-22-23(28-19-8-9-29(3)13-20(19)27-22)30-10-6-15(7-11-30)21(31)17-12-16(24)4-5-18(17)25/h4-5,12,14-15H,6-11,13H2,1-3H3,(H,26,27)
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| InChIKey |
NNCMDNRHJDTQBI-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