General Information of the Compound
| Compound ID |
CP0226938
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| Compound Name |
US8680275, 167
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| Structure |
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| Formula |
C26H26N4O
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| Molecular Weight |
410.521
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc2Cc3ccccc3-c12
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| InChI |
InChI=1S/C26H26N4O/c1-16-12-17(2)28-26(27-16)30-14-20-10-11-29(15-23(20)30)25(31)22-9-5-7-19-13-18-6-3-4-8-21(18)24(19)22/h3-9,12,20,23H,10-11,13-15H2,1-2H3/t20-,23-/m0/s1
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| InChIKey |
SCQSUMNRDUQLMN-REWPJTCUSA-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