General Information of the Compound
| Compound ID |
CP0508305
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| Compound Name |
5-chloro-2-cyano-N-[4-[4-(4-hydroxycyclohexyl)oxy-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C24H21ClN6O4S
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| Molecular Weight |
524.99
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| Canonical SMILES |
OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1
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| InChI |
InChI=1S/C24H21ClN6O4S/c25-16-4-1-15(12-26)21(11-16)36(33,34)31-17-5-2-14(3-6-17)22-28-23-20(13-27-30-23)24(29-22)35-19-9-7-18(32)8-10-19/h1-6,11,13,18-19,31-32H,7-10H2,(H,27,28,29,30)
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| InChIKey |
FFVGXKOYLBDORF-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