General Information of the Compound
| Compound ID |
CP0546078
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| Compound Name |
US8722896, (-)-(2R)-N-(9-Chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N-isobutyl-2- (phenethylamino)propanamide
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| Structure |
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| Formula |
C25H33ClN2O3
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| Molecular Weight |
445.003
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@H](C)NCCc1ccccc1
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| InChI |
InChI=1S/C25H33ClN2O3/c1-18(2)16-28(25(29)19(3)27-11-10-20-8-5-4-6-9-20)17-21-14-22(26)24-23(15-21)30-12-7-13-31-24/h4-6,8-9,14-15,18-19,27H,7,10-13,16-17H2,1-3H3/t19-/m0/s1
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| InChIKey |
MMJCPSMKZRLPHI-IBGZPJMESA-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