General Information of the Compound
| Compound ID |
CP0491319
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| Compound Name |
2-(10-Bromo-2,3,4,7,8,9-hexahydro-pyrano[2,3-g]chromen-5-yl)-ethylamine
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| Structure |
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| Formula |
C14H18BrNO2
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| Molecular Weight |
312.207
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| Canonical SMILES |
NCCc1c2CCCOc2c(Br)c2CCCOc12
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| InChI |
InChI=1S/C14H18BrNO2/c15-12-11-4-2-7-17-13(11)10(5-6-16)9-3-1-8-18-14(9)12/h1-8,16H2
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| InChIKey |
PAFZDNLBBBZEKE-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