General Information of the Compound
| Compound ID |
CP0450532
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| Compound Name |
US8680275, 158
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| Structure |
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| Formula |
C22H26N8O
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| Molecular Weight |
418.505
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(C)c(C)nc1-n1ccnn1
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| InChI |
InChI=1S/C22H26N8O/c1-13-9-18(20(26-16(13)4)30-8-6-23-27-30)21(31)28-7-5-17-11-29(19(17)12-28)22-24-14(2)10-15(3)25-22/h6,8-10,17,19H,5,7,11-12H2,1-4H3/t17-,19-/m0/s1
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| InChIKey |
FTOSJNYBIZILBH-HKUYNNGSSA-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