General Information of the Compound
| Compound ID |
CP0565701
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| Compound Name |
US8637502, 58
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| Formula |
C25H35N3O2
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| Molecular Weight |
409.574
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| Canonical SMILES |
O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1
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| InChI |
InChI=1S/C25H35N3O2/c29-24-17-25(30)28(23-14-7-6-13-22(23)26-24)21-15-19-11-8-12-20(16-21)27(19)18-9-4-2-1-3-5-10-18/h6-7,13-14,18-21H,1-5,8-12,15-17H2,(H,26,29)/t19-,20+,21+
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| InChIKey |
DXQIPZCTGFEJOY-AERCQKQUSA-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