General Information of the Compound
| Compound ID |
CP0560321
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| Compound Name |
2-bromo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
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| Structure |
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| Formula |
C18H22BrNS
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| Molecular Weight |
364.352
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| Canonical SMILES |
Brc1cc2CCC(CCc2s1)NCCCc1ccccc1
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| InChI |
InChI=1S/C18H22BrNS/c19-18-13-15-8-9-16(10-11-17(15)21-18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,13,16,20H,4,7-12H2
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| InChIKey |
COEFOOWNWLEYHU-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