General Information of the Compound
| Compound ID |
CP0372549
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| Compound Name |
(2Z)-N-[3-(diethylamino)-2-hydroxypropoxy]-1,3-benzoxazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C15H20ClN3O3
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| Molecular Weight |
325.796
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| Canonical SMILES |
CCN(CC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
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| InChI |
InChI=1S/C15H20ClN3O3/c1-3-19(4-2)9-11(20)10-21-18-14(16)15-17-12-7-5-6-8-13(12)22-15/h5-8,11,20H,3-4,9-10H2,1-2H3/b18-14-
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| InChIKey |
QHKFDFZJKZZLAR-JXAWBTAJSA-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