General Information of the Compound
| Compound ID |
CP0557579
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| Compound Name |
US9200001, 134
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| Structure |
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| Formula |
C23H25FN8
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| Molecular Weight |
432.507
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(n1)N1CC[C@@H](F)C1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C23H25FN8/c1-13-25-14(2)32(29-13)21-11-19(27-23(28-21)31-9-8-15(24)12-31)16-10-17(16)22-26-18-6-4-5-7-20(18)30(22)3/h4-7,11,15-17H,8-10,12H2,1-3H3/t15-,16-,17-/m1/s1
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| InChIKey |
JVNSJOMOSKNWOV-BRWVUGGUSA-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