General Information of the Compound
| Compound ID |
CP0352509
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| Compound Name |
4-methoxy-N-(2-methyl-2-phenylpropyl)-1,2-benzothiazol-3-amine
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| Structure |
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| Formula |
C18H20N2OS
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| Molecular Weight |
312.438
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| Canonical SMILES |
COc1cccc2snc(NCC(C)(C)c3ccccc3)c12
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| InChI |
InChI=1S/C18H20N2OS/c1-18(2,13-8-5-4-6-9-13)12-19-17-16-14(21-3)10-7-11-15(16)22-20-17/h4-11H,12H2,1-3H3,(H,19,20)
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| InChIKey |
NKBXMDAHDCPWMN-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