General Information of the Compound
| Compound ID |
CP0472053
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| Compound Name |
US8722896, 3-Amino-N-(3,4-dihydro-2H- 1,5-benzodioxepin-7-ylmethyl)- N-isobutylpropanamide
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| Structure |
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| Formula |
C17H26N2O3
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| Molecular Weight |
306.406
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| Canonical SMILES |
CC(C)CN(Cc1ccc2OCCCOc2c1)C(=O)CCN
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| InChI |
InChI=1S/C17H26N2O3/c1-13(2)11-19(17(20)6-7-18)12-14-4-5-15-16(10-14)22-9-3-8-21-15/h4-5,10,13H,3,6-9,11-12,18H2,1-2H3
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| InChIKey |
SRYBLSFYSVYTPU-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