General Information of the Compound
| Compound ID |
CP0035188
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| Compound Name |
(R)-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)benzo[d]thiazole
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| Structure |
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| Formula |
C23H23N3S
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| Molecular Weight |
373.525
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nc2ccccc2s1
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| InChI |
InChI=1S/C23H23N3S/c1-16-5-4-13-26(16)14-12-17-8-10-19-18(15-17)9-11-21(24-19)23-25-20-6-2-3-7-22(20)27-23/h2-3,6-11,15-16H,4-5,12-14H2,1H3/t16-/m1/s1
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| InChIKey |
JUQKBZXPODCAKJ-MRXNPFEDSA-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