General Information of the Compound
| Compound ID |
CP0425570
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| Compound Name |
US9200001, 87
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| Structure |
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| Formula |
C22H26N8
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| Molecular Weight |
402.506
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| Canonical SMILES |
CN(C)Cc1nc(C)nn1-c1cc(nc(C)n1)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C22H26N8/c1-13-23-18(11-20(24-13)30-21(12-28(3)4)25-14(2)27-30)15-10-16(15)22-26-17-8-6-7-9-19(17)29(22)5/h6-9,11,15-16H,10,12H2,1-5H3/t15-,16-/m0/s1
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| InChIKey |
JDIQNUHVTOQHLC-HOTGVXAUSA-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