General Information of the Compound
| Compound ID |
CP0072386
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| Compound Name |
14-(dimethylsulfamoylamino)-5-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-oxo-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 |
C22H23N5O4S
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| Molecular Weight |
453.524
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CCCO)c1
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| InChI |
InChI=1S/C22H23N5O4S/c1-26(2)32(30,31)25-18-6-4-15-5-7-21-20(22(29)19(15)11-18)10-16(12-23-21)17-13-24-27(14-17)8-3-9-28/h4-7,10-14,25,28H,3,8-9H2,1-2H3
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| InChIKey |
ZWFPZMFOHIGOCD-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