General Information of the Compound
| Compound ID |
CP0475912
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| Compound Name |
1-[[6-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-1,3-benzothiazol-4-yl]methyl]pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C18H16ClN3O2S
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| Molecular Weight |
373.865
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| Canonical SMILES |
OC(=O)c1ccn(Cc2cc(Cl)cc3sc(nc23)N2CCC=CC2)c1
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| InChI |
InChI=1S/C18H16ClN3O2S/c19-14-8-13(11-21-7-4-12(10-21)17(23)24)16-15(9-14)25-18(20-16)22-5-2-1-3-6-22/h1-2,4,7-10H,3,5-6,11H2,(H,23,24)
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| InChIKey |
SVWCMXFCQVPTAJ-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