General Information of the Compound
| Compound ID |
CP0425571
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| Compound Name |
US9200001, 101
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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@@H]2CCCO2)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C23H25N7O/c1-13-24-18(15-11-16(15)22-27-17-7-4-5-8-19(17)29(22)3)12-21(25-13)30-23(26-14(2)28-30)20-9-6-10-31-20/h4-5,7-8,12,15-16,20H,6,9-11H2,1-3H3/t15-,16-,20+/m1/s1
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| InChIKey |
QHGSAFVGZFAKMW-QINHECLXSA-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