General Information of the Compound
| Compound ID |
CP0469600
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| Compound Name |
US9434725, 191
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| Structure |
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| Formula |
C21H22N8
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| Molecular Weight |
386.463
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| Canonical SMILES |
C[C@@H]1CNCCN1c1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
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| InChI |
InChI=1S/C21H22N8/c1-14-9-23-13-18(26-14)17-8-19-16(11-24-17)12-25-29(19)21-5-3-4-20(27-21)28-7-6-22-10-15(28)2/h3-5,8-9,11-13,15,22H,6-7,10H2,1-2H3/t15-/m1/s1
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| InChIKey |
KTRUDSZOTYPXRK-OAHLLOKOSA-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