General Information of the Compound
| Compound ID |
CP0842128
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| Compound Name |
4-((7'-((cis)-2-Hydroxy-2-methylcyclopentyl)-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@@]2(C)O)C(=O)C32CC2)cc1
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| InChI |
InChI=1S/C21H25N5O4S/c1-20(28)9-3-4-16(20)26-17-15(21(10-11-21)18(26)27)12-23-19(25-17)24-13-5-7-14(8-6-13)31(29,30)22-2/h5-8,12,16,22,28H,3-4,9-11H2,1-2H3,(H,23,24,25)/t16-,20-/m1/s1/i2D3
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| InChIKey |
XJYUSNWXKXUGGH-VTIXCXEBSA-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