General Information of the Compound
| Compound ID |
CP0549918
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| Compound Name |
US9200001, 79
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| Structure |
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| Formula |
C25H29N7
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| Molecular Weight |
427.556
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| Canonical SMILES |
Cc1nc(C2CCCCC2)n(n1)-c1cc(nc(C)n1)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C25H29N7/c1-15-26-21(18-13-19(18)25-29-20-11-7-8-12-22(20)31(25)3)14-23(27-15)32-24(28-16(2)30-32)17-9-5-4-6-10-17/h7-8,11-12,14,17-19H,4-6,9-10,13H2,1-3H3/t18-,19-/m0/s1
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| InChIKey |
NSESCGXAYOZVQL-OALUTQOASA-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