General Information of the Compound
| Compound ID |
CP0517000
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| Compound Name |
(3R,4R)-3-(benzo[d]thiazol-2-yl)-2-(2-ethylbutyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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| Structure |
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| Formula |
C23H24N2O3S
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| Molecular Weight |
408.523
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| Canonical SMILES |
CCC(CC)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C23H24N2O3S/c1-3-14(4-2)13-25-20(21-24-17-11-7-8-12-18(17)29-21)19(23(27)28)15-9-5-6-10-16(15)22(25)26/h5-12,14,19-20H,3-4,13H2,1-2H3,(H,27,28)/t19-,20-/m1/s1
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| InChIKey |
AMECZIMRCNITSJ-WOJBJXKFSA-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