General Information of the Compound
| Compound ID |
CP0426304
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| Compound Name |
US9200001, 65
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| Structure |
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| Formula |
C22H25N7O2
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| Molecular Weight |
419.489
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| Canonical SMILES |
COCCOc1nc(cc(n1)-n1nc(C)nc1C)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C22H25N7O2/c1-13-23-14(2)29(27-13)20-12-18(25-22(26-20)31-10-9-30-4)15-11-16(15)21-24-17-7-5-6-8-19(17)28(21)3/h5-8,12,15-16H,9-11H2,1-4H3/t15-,16-/m1/s1
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| InChIKey |
WQMFXKPIHAQVTC-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