General Information of the Compound
| Compound ID |
CP0163132
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| Compound Name |
(+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol
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| Synonyms |
(+)-BUTACLAMOL
(+)-Butaclamol
(+/-)-Butaclamol hydrochloride
1H-Benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinolin-3-ol, 2,3,4,4a,8,9,13b,14-octahydro-3-(1,1-dimethylethyl)-, (3S-(3-alpha,4a-alpha,13b-beta))-
56245-67-1
AC1L1XRQ
BDBM50008735
BPBio1_001177
BUTACLAMOL
BUTACLAMOL, (-)
BUTACLAMOL,(+)
BUTACLAMOL,d-
Biomol-NT_000018
CCG-204282
CHEBI:109533
CHEMBL8514
GTPL62
HMS2089C08
Lopac0_000187
Lopac0_000475
NCGC00162085-04
PDSP2_000547
PDSP2_001512
SCHEMBL122821
ZINC2008410
ZZJYIKPMDIWRSN-HWBMXIPRSA-N
d-Butaclamol
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| Structure |
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| Formula |
C25H31NO
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| Molecular Weight |
361.529
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| Canonical SMILES |
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
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| InChI |
InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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| InChIKey |
ZZJYIKPMDIWRSN-HWBMXIPRSA-N
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| CAS |
56245-67-1
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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: PT01366, D(3) dopamine receptor
Clinical Information about the Compound