General Information of the Compound
| Compound ID |
CP0504814
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| Compound Name |
(2Z)-N-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-1,3-benzothiazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C15H18ClN3O2S
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| Molecular Weight |
339.848
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| Canonical SMILES |
OC(CO\N=C(/Cl)c1nc2ccccc2s1)CN1CCCC1
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| InChI |
InChI=1S/C15H18ClN3O2S/c16-14(15-17-12-5-1-2-6-13(12)22-15)18-21-10-11(20)9-19-7-3-4-8-19/h1-2,5-6,11,20H,3-4,7-10H2/b18-14-
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| InChIKey |
LHHPPGVPAOQVTK-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