General Information of the Compound
| Compound ID |
CP0531135
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| Compound Name |
US8722896, (-)-(3R)-1-(Furan-2-ylmethyl)- 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 |
C24H31ClN2O4
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| Molecular Weight |
446.975
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@@H]1CCN(Cc2ccco2)C1
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| InChI |
InChI=1S/C24H31ClN2O4/c1-17(2)13-27(14-18-11-21(25)23-22(12-18)30-9-4-10-31-23)24(28)19-6-7-26(15-19)16-20-5-3-8-29-20/h3,5,8,11-12,17,19H,4,6-7,9-10,13-16H2,1-2H3/t19-/m1/s1
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| InChIKey |
QJIVZTDQGKRPPK-LJQANCHMSA-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