General Information of the Compound
| Compound ID |
CP0526165
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| Compound Name |
US9428500, 12
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| Structure |
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| Formula |
C36H33ClN4O
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| Molecular Weight |
573.14
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1
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| InChI |
InChI=1S/C36H33ClN4O/c1-24-21-30(12-13-33(24)37)42-23-25-3-5-27(6-4-25)31-15-16-38-36-35(31)32-22-28(9-14-34(32)39-36)26-7-10-29(11-8-26)41-19-17-40(2)18-20-41/h3-16,21-22H,17-20,23H2,1-2H3,(H,38,39)
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| InChIKey |
QCDVYHMRAJKGHT-UHFFFAOYSA-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