General Information of the Compound
| Compound ID |
CP0095994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8629135, SW-01
Show/Hide
|
||||||||||||||||||
| Synonyms |
1-Propanamine, 3-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-(9CI)
10,11-Dehydroamitriptyline
3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine
3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine
5-(3-Dimetilaminopropiliden)-5H-dibenzo-(a,d)-ciclopentene
5-(3-Dimetilaminopropiliden)-5H-dibenzo-(a,d)-ciclopentene [Italian]
9715 R.P
9715 R.PAmrix (TN)
Apo-Cyclobenzaprine (TN)
Ciclobenzaprina
Ciclobenzaprina [INN-Spanish]
Cyclobenz
Cyclobenzaprine
Cyclobenzaprine (INN)
Cyclobenzaprine [INN]
Cyclobenzaprinum
Cyclobenzaprinum [INN-Latin]
Fexmid
Fexmid(TN)
Flexeril
Flexeril (TN)
Flexeril hydrochloride
Lisseril
MK 130
MK-130 HCl
N,N-Dimethyl-3-(dibenzo(a,d)cycloheptene-4-ylidene)propylamine
N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine
N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-Delta(5,gamma)-propylamine
NCI78206
Proeptatriene
Proeptatriene [Italian]
Proheptatrien
Proheptatriene
Ro 4-1577
Yurelax
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N
|
||||||||||||||||||
| Molecular Weight |
275.395
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCC=C1c2ccccc2C=Cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JURKNVYFZMSNLP-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
303-53-7
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Protein ID: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Clinical Information about the Compound