General Information of the Compound
| Compound ID |
CP0524271
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| Compound Name |
US8722896, (-)-(3R)-1-(2,3-Dihydro-1,4- benzodioxin-5-ylmethyl)-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 |
C28H35ClN2O5
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| Molecular Weight |
515.05
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2cccc3OCCOc23)C1
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| InChI |
InChI=1S/C28H35ClN2O5/c1-19(2)15-31(16-20-13-23(29)27-25(14-20)33-9-4-10-35-27)28(32)22-7-8-30(18-22)17-21-5-3-6-24-26(21)36-12-11-34-24/h3,5-6,13-14,19,22H,4,7-12,15-18H2,1-2H3
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| InChIKey |
VVUZVKZRRVISEK-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