General Information of the Compound
| Compound ID |
CP0950566
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| Compound Name |
(S)-(-)-10-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4,5,6-hexahydro-1-benzazecine-7-carboxamide
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| Structure |
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| Formula |
C43H56N4O4S
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| Molecular Weight |
725.012
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| Canonical SMILES |
CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCCN3CC(C)C)cc1
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| InChI |
InChI=1S/C43H56N4O4S/c1-5-7-24-50-25-26-51-40-17-12-34(13-18-40)35-14-21-42-37(27-35)28-36(11-9-8-10-23-46(42)30-33(3)4)43(48)45-38-15-19-41(20-16-38)52(49)31-39-29-44-32-47(39)22-6-2/h12-21,27-29,32-33H,5-11,22-26,30-31H2,1-4H3,(H,45,48)/b36-28+/t52-/m0/s1
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| InChIKey |
HSXOXWBHCVUZRD-WXXUAQEFSA-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