General Information of the Compound
| Compound ID |
CP0881158
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| Compound Name |
SID50106063
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| Synonyms |
Cyclobenzaprine very low dose
TNX-102
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| Structure |
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| Formula |
C20H22ClN
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| Molecular Weight |
311.856
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| Canonical SMILES |
CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl
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| InChI |
InChI=1S/C20H21N.ClH/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;1H
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| InChIKey |
VXEAYBOGHINOKW-UHFFFAOYSA-N
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| CAS |
6202-23-9
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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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound