General Information of the Compound
| Compound ID |
CP0280547
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| Compound Name |
14-[[methyl-[(3S)-oxolan-3-yl]sulfamoyl]amino]-5-(1-methylpyrazol-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 |
C23H23N5O4S
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| Molecular Weight |
465.535
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| Canonical SMILES |
CN([C@H]1CCOC1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
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| InChI |
InChI=1S/C23H23N5O4S/c1-27-13-17(12-25-27)16-9-21-22(24-11-16)6-4-15-3-5-18(10-20(15)23(21)29)26-33(30,31)28(2)19-7-8-32-14-19/h3-6,9-13,19,26H,7-8,14H2,1-2H3/t19-/m0/s1
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| InChIKey |
NEDWINMOGNFOQD-IBGZPJMESA-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