General Information of the Compound
| Compound ID |
CP0428506
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| Compound Name |
(R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic acid
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| Synonyms |
(2R)-2-(Benzylaminomethyl)chroman-7-ol
(R)-2-(Benzylamino-methyl)-chroman-7-ol
(r)-2-[(benzylamino)methyl]chroman-7-ol
BDBM50061669
CHEMBL134807
CHEMBL64553
ZINC13527706
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| Structure |
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| Formula |
C17H19NO2
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| Molecular Weight |
269.344
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| Canonical SMILES |
Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
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| InChI |
InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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| InChIKey |
DWUAAOIZQFTYQP-MRXNPFEDSA-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
Protein ID: PT01161, D(4) dopamine receptor
Clinical Information about the Compound