General Information of the Compound
| Compound ID |
CP0095006
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| Compound Name |
3-[4-(1,3-benzodioxol-5-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]propan-1-amine
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| Structure |
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| Formula |
C17H18N4O2S
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| Molecular Weight |
342.424
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| Canonical SMILES |
Cc1csc(n1)-c1[nH]c(CCCN)nc1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C17H18N4O2S/c1-10-8-24-17(19-10)16-15(20-14(21-16)3-2-6-18)11-4-5-12-13(7-11)23-9-22-12/h4-5,7-8H,2-3,6,9,18H2,1H3,(H,20,21)
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| InChIKey |
NQXVTQJZWXAUJV-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