General Information of the Compound
| Compound ID |
CP0577706
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| Compound Name |
N-methyl-4-[[7'-[(1S,2S)-2-methylcyclopentyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C21H25N5O3S
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| Molecular Weight |
427.53
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@H]2CCC[C@@H]2C)C(=O)C32CC2)cc1
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| InChI |
InChI=1S/C21H25N5O3S/c1-13-4-3-5-17(13)26-18-16(21(10-11-21)19(26)27)12-23-20(25-18)24-14-6-8-15(9-7-14)30(28,29)22-2/h6-9,12-13,17,22H,3-5,10-11H2,1-2H3,(H,23,24,25)/t13-,17-/m0/s1
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| InChIKey |
HYCASJGOJJSHLV-GUYCJALGSA-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