General Information of the Compound
| Compound ID |
CP0208594
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| Compound Name |
3-[((E)-3-Iodo-allyl)-propyl-amino]-chroman-6-ol
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| Structure |
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| Formula |
C15H20INO2
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| Molecular Weight |
373.234
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| Canonical SMILES |
CCCN(C\C=C\I)C1COc2ccc(O)cc2C1
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| InChI |
InChI=1S/C15H20INO2/c1-2-7-17(8-3-6-16)13-9-12-10-14(18)4-5-15(12)19-11-13/h3-6,10,13,18H,2,7-9,11H2,1H3/b6-3+
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| InChIKey |
HDSARMPSJMIESZ-ZZXKWVIFSA-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor