General Information of the Compound
| Compound ID |
CP0396700
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| Compound Name |
1-[3-(5-methylimidazol-1-yl)propyl]-3-(1-methylindol-6-yl)thiourea
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| Structure |
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| Formula |
C17H21N5S
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| Molecular Weight |
327.457
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| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2ccn(C)c2c1
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| InChI |
InChI=1S/C17H21N5S/c1-13-11-18-12-22(13)8-3-7-19-17(23)20-15-5-4-14-6-9-21(2)16(14)10-15/h4-6,9-12H,3,7-8H2,1-2H3,(H2,19,20,23)
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| InChIKey |
XHVRMBKGMOLAPY-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