General Information of the Compound
| Compound ID |
CP0540385
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| Compound Name |
1-[3-(5-methylimidazol-1-yl)propyl]-3-(1-methylindazol-6-yl)thiourea
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| Structure |
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| Formula |
C16H20N6S
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| Molecular Weight |
328.445
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| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2cnn(C)c2c1
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| InChI |
InChI=1S/C16H20N6S/c1-12-9-17-11-22(12)7-3-6-18-16(23)20-14-5-4-13-10-19-21(2)15(13)8-14/h4-5,8-11H,3,6-7H2,1-2H3,(H2,18,20,23)
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| InChIKey |
LDJMNSUWNOEKDI-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