General Information of the Compound
| Compound ID |
CP0573579
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| Compound Name |
US8722896, (-)-(3R)-1-((1-Methyl-1H-pyrrol- 2-yl)methyl)-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C25H34ClN3O3
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| Molecular Weight |
460.018
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2cccn2C)C1
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| InChI |
InChI=1S/C25H34ClN3O3/c1-18(2)14-29(15-19-12-22(26)24-23(13-19)31-10-5-11-32-24)25(30)20-7-9-28(16-20)17-21-6-4-8-27(21)3/h4,6,8,12-13,18,20H,5,7,9-11,14-17H2,1-3H3
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| InChIKey |
POBZCVGGKJUCCK-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