General Information of the Compound
| Compound ID |
CP0842129
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| Compound Name |
4-((7'-((1R,3R)-3-Hydroxycyclohexyl)-6'-oxo-6',7'-dihydrospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidin]-2'-yl)amino)-N-(methyl-d3)benzenesulfonamide
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| Structure |
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| Formula |
C21H25N5O4S
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| Molecular Weight |
446.5473053
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| Canonical SMILES |
[2H]C([2H])([2H])NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cc1
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| InChI |
InChI=1S/C21H25N5O4S/c1-22-31(29,30)16-7-5-13(6-8-16)24-20-23-12-17-18(25-20)26(19(28)21(17)9-10-21)14-3-2-4-15(27)11-14/h5-8,12,14-15,22,27H,2-4,9-11H2,1H3,(H,23,24,25)/t14-,15-/m1/s1/i1D3
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| InChIKey |
AKQOBHZKBDHWQI-BZEFIUHZSA-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