General Information of the Compound
| Compound ID |
CP0482356
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| Compound Name |
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C16H21N5OS
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| Molecular Weight |
331.445
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| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2OCCNc2c1
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| InChI |
InChI=1S/C16H21N5OS/c1-12-10-17-11-21(12)7-2-5-19-16(23)20-13-3-4-15-14(9-13)18-6-8-22-15/h3-4,9-11,18H,2,5-8H2,1H3,(H2,19,20,23)
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| InChIKey |
VZEQJIFWBFCQBU-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