General Information of the Compound
| Compound ID |
CP0413931
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| Compound Name |
US8722896, (-)-(3R)-1-(2-Methylbenzyl)- N-(9-fluoro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C27H35FN2O3
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| Molecular Weight |
454.586
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| Canonical SMILES |
CC(C)CN(Cc1cc(F)c2OCCCOc2c1)C(=O)[C@@H]1CCN(Cc2ccccc2C)C1
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| InChI |
InChI=1S/C27H35FN2O3/c1-19(2)15-30(16-21-13-24(28)26-25(14-21)32-11-6-12-33-26)27(31)23-9-10-29(18-23)17-22-8-5-4-7-20(22)3/h4-5,7-8,13-14,19,23H,6,9-12,15-18H2,1-3H3/t23-/m1/s1
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| InChIKey |
UAMHNXUVDALRMY-HSZRJFAPSA-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