General Information of the Compound
| Compound ID |
CP0533542
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| Compound Name |
3-{4-chloro-3-[(N-methyl-1,5-dimethyl-1H-pyrazole-4-sulfonamido)methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C23H25ClN6O4S
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| Molecular Weight |
517.011
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| Canonical SMILES |
CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1cnn(C)c1C
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| InChI |
InChI=1S/C23H25ClN6O4S/c1-14-22(12-25-29(14)3)35(33,34)28(2)13-17-9-15(5-7-19(17)24)18(11-23(31)32)16-6-8-21-20(10-16)26-27-30(21)4/h5-10,12,18H,11,13H2,1-4H3,(H,31,32)
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| InChIKey |
SRPXGGSRYJJWSO-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