General Information of the Compound
| Compound ID |
CP0458407
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| Compound Name |
2-[[7-[6-chloro-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzonitrile
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| Structure |
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| Formula |
C26H20ClN5O4S
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| Molecular Weight |
533.997
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| Canonical SMILES |
Clc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccccc2C#N)n1)-c1nc(no1)C1CC1
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| InChI |
InChI=1S/C26H20ClN5O4S/c27-23-12-19(26-30-25(31-36-26)17-7-8-17)13-24(29-23)35-20-10-9-16-5-3-11-32(21(16)14-20)37(33,34)22-6-2-1-4-18(22)15-28/h1-2,4,6,9-10,12-14,17H,3,5,7-8,11H2
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| InChIKey |
RGSFMQKVZUPXLA-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