General Information of the Compound
| Compound ID |
CP0459989
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| Compound Name |
US8722896, (+/-)-N-(9-Chloro-3,4-dihydro- 2H-1,5-benzodioxepin-7- ylmethyl)-N-isobutyl-3- phenoxycyclopentanecarbox- amide
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| Structure |
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| Formula |
C26H32ClNO4
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| Molecular Weight |
457.998
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCC(C1)Oc1ccccc1
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| InChI |
InChI=1S/C26H32ClNO4/c1-18(2)16-28(17-19-13-23(27)25-24(14-19)30-11-6-12-31-25)26(29)20-9-10-22(15-20)32-21-7-4-3-5-8-21/h3-5,7-8,13-14,18,20,22H,6,9-12,15-17H2,1-2H3
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| InChIKey |
UMCSPNRWVOQTPZ-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