General Information of the Compound
| Compound ID |
CP0567651
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| Compound Name |
US9434725, 205
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| Structure |
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| Formula |
C22H24N8
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| Molecular Weight |
400.49
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| Canonical SMILES |
Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C)c(n1)N1CCC[C@H](N)C1
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| InChI |
InChI=1S/C22H24N8/c1-14-5-6-21(28-22(14)29-7-3-4-17(23)13-29)30-20-8-18(25-10-16(20)11-26-30)19-12-24-9-15(2)27-19/h5-6,8-12,17H,3-4,7,13,23H2,1-2H3/t17-/m0/s1
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| InChIKey |
APJNEWHEOPKPSA-KRWDZBQOSA-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