General Information of the Compound
| Compound ID |
CP0375672
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| Compound Name |
US8722896, N-(9-Chloro-3,4-dihydro-2H- 1,5-benzodioxepin-7-ylmethyl)- N-isobutyl-3-(pyrrolidin-2- yl)propanamide
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| Structure |
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| Formula |
C21H31ClN2O3
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| Molecular Weight |
394.943
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)CCC1CCCN1
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| InChI |
InChI=1S/C21H31ClN2O3/c1-15(2)13-24(20(25)7-6-17-5-3-8-23-17)14-16-11-18(22)21-19(12-16)26-9-4-10-27-21/h11-12,15,17,23H,3-10,13-14H2,1-2H3
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| InChIKey |
ABLDVVNJTBLJAP-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