General Information of the Compound
| Compound ID |
CP0271016
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| Compound Name |
14-(dimethylsulfamoylamino)-2-oxo-5-(1-pyridin-2-ylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
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| Structure |
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| Formula |
C24H20N6O3S
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| Molecular Weight |
472.53
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(c1)-c1ccccn1
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| InChI |
InChI=1S/C24H20N6O3S/c1-29(2)34(32,33)28-19-8-6-16-7-9-22-21(24(31)20(16)12-19)11-17(13-26-22)18-14-27-30(15-18)23-5-3-4-10-25-23/h3-15,28H,1-2H3
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| InChIKey |
LJJNUHXTGGXNRD-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