General Information of the Compound
| Compound ID |
CP0475395
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| Compound Name |
US8975261, TT1
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1\C=C\c1cccnc1
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| InChI |
InChI=1S/C22H22N4O2/c1-15-24-12-17(6-5-16-4-3-9-23-11-16)22(26-15)28-14-18-10-20(18)21-8-7-19(27-2)13-25-21/h3-9,11-13,18,20H,10,14H2,1-2H3/b6-5+/t18-,20+/m1/s1
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| InChIKey |
OFFGURFOHFNSOB-OANMOWAGSA-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