General Information of the Compound
| Compound ID |
CP0199348
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| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-[2-(3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C28H41N7O4S
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| Molecular Weight |
571.748
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCC2(CCN(C2)c2ncnc3n[nH]c(C)c23)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C28H41N7O4S/c1-5-39-14-13-35(40(37,38)25-20(2)7-6-8-21(25)3)16-23(36)15-33-11-9-28(17-33)10-12-34(18-28)27-24-22(4)31-32-26(24)29-19-30-27/h6-8,19,23,36H,5,9-18H2,1-4H3,(H,29,30,31,32)/t23-,28?/m0/s1
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| InChIKey |
GHARCVPTJMBSSW-UHFKCPIBSA-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