General Information of the Compound
| Compound ID |
CP0559751
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| Compound Name |
[6-(4-phenylbutylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]methanol
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| Structure |
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| Formula |
C20H27NOS
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| Molecular Weight |
329.509
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| Canonical SMILES |
OCc1cc2CCC(CCc2s1)NCCCCc1ccccc1
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| InChI |
InChI=1S/C20H27NOS/c22-15-19-14-17-9-10-18(11-12-20(17)23-19)21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,14,18,21-22H,4-5,8-13,15H2
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| InChIKey |
WJQPJAIEJNBGOE-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