General Information of the Compound
| Compound ID |
CP0519855
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| Compound Name |
US8722896, 3-Amino-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C17H25ClN2O3
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| Molecular Weight |
340.851
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)CCN
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| InChI |
InChI=1S/C17H25ClN2O3/c1-12(2)10-20(16(21)4-5-19)11-13-8-14(18)17-15(9-13)22-6-3-7-23-17/h8-9,12H,3-7,10-11,19H2,1-2H3
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| InChIKey |
WUKCYIGIBUVFNR-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