General Information of the Compound
| Compound ID |
CP0490791
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| Compound Name |
US9200001, 135
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| Structure |
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| Formula |
C23H26N8O
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| Molecular Weight |
430.516
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(n1)N1CC(C)(O)C1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C23H26N8O/c1-13-24-14(2)31(28-13)20-10-18(26-22(27-20)30-11-23(3,32)12-30)15-9-16(15)21-25-17-7-5-6-8-19(17)29(21)4/h5-8,10,15-16,32H,9,11-12H2,1-4H3/t15-,16-/m1/s1
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| InChIKey |
HSRDXVVTSIFFTR-HZPDHXFCSA-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