General Information of the Compound
| Compound ID |
CP0549922
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| Compound Name |
US9200001, 136
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| Structure |
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| Formula |
C23H25N7O
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| Molecular Weight |
415.501
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(OC2CCC2)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C23H25N7O/c1-13-24-14(2)30(28-13)21-12-19(26-23(27-21)31-15-7-6-8-15)16-11-17(16)22-25-18-9-4-5-10-20(18)29(22)3/h4-5,9-10,12,15-17H,6-8,11H2,1-3H3/t16-,17-/m1/s1
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| InChIKey |
CGHJKDRDXVGUTJ-IAGOWNOFSA-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