General Information of the Compound
| Compound ID |
CP0474828
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| Compound Name |
US9428500, 27
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| Structure |
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| Formula |
C32H32N4O
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| Molecular Weight |
488.635
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| Canonical SMILES |
COc1ccccc1\C=C(/C)c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C32H32N4O/c1-22(20-25-6-4-5-7-30(25)37-3)27-14-15-33-32-31(27)28-21-24(10-13-29(28)34-32)23-8-11-26(12-9-23)36-18-16-35(2)17-19-36/h4-15,20-21H,16-19H2,1-3H3,(H,33,34)/b22-20+
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| InChIKey |
GZXKIGKKWQUTFL-LSDHQDQOSA-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