General Information of the Compound
| Compound ID |
CP0407211
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| Compound Name |
US8722896, (-)-(3R)-1-(2-Methoxy-3- nitrobenzyl)-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C27H34ClN3O6
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| Molecular Weight |
532.037
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| Canonical SMILES |
COc1c(CN2CCC(C2)C(=O)N(CC(C)C)Cc2cc(Cl)c3OCCCOc3c2)cccc1[N+]([O-])=O
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| InChI |
InChI=1S/C27H34ClN3O6/c1-18(2)14-30(15-19-12-22(28)26-24(13-19)36-10-5-11-37-26)27(32)21-8-9-29(17-21)16-20-6-4-7-23(31(33)34)25(20)35-3/h4,6-7,12-13,18,21H,5,8-11,14-17H2,1-3H3
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| InChIKey |
IWFUMAQNDIKXDX-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