General Information of the Compound
| Compound ID |
CP0407301
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| Compound Name |
1-(1,3-benzoxazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C15H17N5OS
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| Molecular Weight |
315.402
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| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2ncoc2c1
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| InChI |
InChI=1S/C15H17N5OS/c1-11-8-16-9-20(11)6-2-5-17-15(22)19-12-3-4-13-14(7-12)21-10-18-13/h3-4,7-10H,2,5-6H2,1H3,(H2,17,19,22)
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| InChIKey |
ORTFRYVBMYTAFH-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