General Information of the Compound
| Compound ID |
CP0504815
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| Compound Name |
(Z,2S)-6-(1,3-benzoxazol-2-yl)-6-chloro-1-[propan-2-yl(propyl)amino]hex-5-en-2-ol
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| Structure |
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| Formula |
C19H27ClN2O2
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| Molecular Weight |
350.89
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| Canonical SMILES |
CCCN(C[C@@H](O)CC\C=C(/Cl)c1nc2ccccc2o1)C(C)C
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| InChI |
InChI=1S/C19H27ClN2O2/c1-4-12-22(14(2)3)13-15(23)8-7-9-16(20)19-21-17-10-5-6-11-18(17)24-19/h5-6,9-11,14-15,23H,4,7-8,12-13H2,1-3H3/b16-9-/t15-/m0/s1
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| InChIKey |
IETQRJPZMCDISP-HVVQPJKBSA-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