General Information of the Compound
| Compound ID |
CP0544800
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| Compound Name |
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C19H29N5OS
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| Molecular Weight |
375.542
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| Canonical SMILES |
CN(C)CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
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| InChI |
InChI=1S/C19H29N5OS/c1-15-5-4-6-16-18(15)21-19(26-16)20-17(25)7-8-23-11-13-24(14-12-23)10-9-22(2)3/h4-6H,7-14H2,1-3H3,(H,20,21,25)
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| InChIKey |
XJGKAXITBMNERI-UHFFFAOYSA-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: PT02751, Glutamate receptor ionotropic, NMDA 2B
Protein ID: PT01449, P2X purinoceptor 7