General Information of the Compound
| Compound ID |
CP0566300
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| Compound Name |
US9200001, 118
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| Structure |
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| Formula |
C23H28N8
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| Molecular Weight |
416.533
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(NC(C)(C)C)n1)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C23H28N8/c1-13-24-14(2)31(29-13)20-12-18(26-22(27-20)28-23(3,4)5)15-11-16(15)21-25-17-9-7-8-10-19(17)30(21)6/h7-10,12,15-16H,11H2,1-6H3,(H,26,27,28)/t15-,16-/m0/s1
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| InChIKey |
ZNGZATVSZFCRER-HOTGVXAUSA-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