General Information of the Compound
| Compound ID |
CP0503992
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| Compound Name |
(2Z)-N-[3-(dipropylamino)-2-hydroxypropoxy]-1,3-benzoxazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C17H24ClN3O3
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| Molecular Weight |
353.85
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| Canonical SMILES |
CCCN(CCC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
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| InChI |
InChI=1S/C17H24ClN3O3/c1-3-9-21(10-4-2)11-13(22)12-23-20-16(18)17-19-14-7-5-6-8-15(14)24-17/h5-8,13,22H,3-4,9-12H2,1-2H3/b20-16-
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| InChIKey |
PMCAJNCIVVEHKO-SILNSSARSA-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