General Information of the Compound
| Compound ID |
CP0435225
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| Compound Name |
US8722896, (-)-(3R)-1-(Indol-7-ylmethyl)- N-(9-chloro-3,3-difluoro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)- N-isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C28H32ClF2N3O3
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| Molecular Weight |
532.031
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCC(F)(F)COc2c1)C(=O)C1CCN(Cc2cccc3cc[nH]c23)C1
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| InChI |
InChI=1S/C28H32ClF2N3O3/c1-18(2)12-34(13-19-10-23(29)26-24(11-19)36-16-28(30,31)17-37-26)27(35)22-7-9-33(15-22)14-21-5-3-4-20-6-8-32-25(20)21/h3-6,8,10-11,18,22,32H,7,9,12-17H2,1-2H3
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| InChIKey |
NYZQNXXCSARADX-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