General Information of the Compound
| Compound ID |
CP0569530
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| Compound Name |
US8772323, 249
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| Structure |
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| Formula |
C27H34N4O3
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| Molecular Weight |
462.594
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| Canonical SMILES |
CCCN(CCOc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1CC)C(C)C
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| InChI |
InChI=1S/C27H34N4O3/c1-5-13-31(18(3)4)14-15-33-22-10-7-20(8-11-22)27-28-23-12-9-21(16-24(23)34-27)26-19(6-2)17-25(32)29-30-26/h7-12,16,18-19H,5-6,13-15,17H2,1-4H3,(H,29,32)
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| InChIKey |
QIKGRSSAQQTSQT-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