General Information of the Compound
| Compound ID |
CP0245579
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| Compound Name |
5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-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 |
C24H28N6O3S
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| Molecular Weight |
480.594
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| Canonical SMILES |
CN(C)CCCn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N(C)C)cc3c(=O)c2c1
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| InChI |
InChI=1S/C24H28N6O3S/c1-28(2)10-5-11-30-16-19(15-26-30)18-12-22-23(25-14-18)9-7-17-6-8-20(13-21(17)24(22)31)27-34(32,33)29(3)4/h6-9,12-16,27H,5,10-11H2,1-4H3
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| InChIKey |
QIESUVSXDMQLDD-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