General Information of the Compound
| Compound ID |
CP0310544
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| Compound Name |
4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine
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| Structure |
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| Formula |
C25H26N6O5S
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| Molecular Weight |
522.587
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CC(=O)N2CCOCC2)c1
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| InChI |
InChI=1S/C25H26N6O5S/c1-29(2)37(34,35)28-20-5-3-17-4-6-23-22(25(33)21(17)12-20)11-18(13-26-23)19-14-27-31(15-19)16-24(32)30-7-9-36-10-8-30/h3-6,11-15,28H,7-10,16H2,1-2H3
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| InChIKey |
AQADDFKTCUJWGY-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