General Information of the Compound
| Compound ID |
CP0440505
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| Compound Name |
US8722896, (-)-(2R)-2-Benzylamino-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C24H31ClN2O3
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| Molecular Weight |
430.976
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@H](C)NCc1ccccc1
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| InChI |
InChI=1S/C24H31ClN2O3/c1-17(2)15-27(24(28)18(3)26-14-19-8-5-4-6-9-19)16-20-12-21(25)23-22(13-20)29-10-7-11-30-23/h4-6,8-9,12-13,17-18,26H,7,10-11,14-16H2,1-3H3/t18-/m0/s1
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| InChIKey |
XNYFPBRBUWMOSK-SFHVURJKSA-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