General Information of the Compound
| Compound ID |
CP0576949
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| Compound Name |
US9340500, I-013
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| Structure |
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| Formula |
C25H28ClN3O2
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| Molecular Weight |
437.971
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C25H28ClN3O2/c1-19-23(25(30)27-22-10-5-9-21(26)17-22)18-24(20-7-3-2-4-8-20)29(19)12-6-11-28-13-15-31-16-14-28/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,27,30)
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| InChIKey |
VPOIWFUNEVYKNU-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