General Information of the Compound
| Compound ID |
CP0442846
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| Compound Name |
US9200001, 95
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| Structure |
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| Formula |
C22H25N7O
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| Molecular Weight |
403.49
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| Canonical SMILES |
CO[C@@H](C)c1nc(C)nn1-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C22H25N7O/c1-12(30-5)21-25-14(3)27-29(21)20-11-18(23-13(2)24-20)15-10-16(15)22-26-17-8-6-7-9-19(17)28(22)4/h6-9,11-12,15-16H,10H2,1-5H3/t12-,15+,16+/m0/s1
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| InChIKey |
SUQHAYCAQYBTIP-APHBMKBZSA-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