General Information of the Compound
| Compound ID |
CP0099722
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| Compound Name |
2-[4-(1,3-benzodioxol-5-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]ethanamine
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| Structure |
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| Formula |
C16H16N4O2S
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| Molecular Weight |
328.397
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| Canonical SMILES |
Cc1csc(n1)-c1[nH]c(CCN)nc1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C16H16N4O2S/c1-9-7-23-16(18-9)15-14(19-13(20-15)4-5-17)10-2-3-11-12(6-10)22-8-21-11/h2-3,6-7H,4-5,8,17H2,1H3,(H,19,20)
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| InChIKey |
KNLXXCCGKJMNGF-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