General Information of the Compound
| Compound ID |
CP0580140
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| Compound Name |
4-[[7'-[(1S)-1-cyclopropylethyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C20H23N5O3S
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| Molecular Weight |
413.503
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H](C)C2CC2)C(=O)C32CC2)cc1
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| InChI |
InChI=1S/C20H23N5O3S/c1-12(13-3-4-13)25-17-16(20(9-10-20)18(25)26)11-22-19(24-17)23-14-5-7-15(8-6-14)29(27,28)21-2/h5-8,11-13,21H,3-4,9-10H2,1-2H3,(H,22,23,24)/t12-/m0/s1
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| InChIKey |
JLLFLJDJZNJSTE-LBPRGKRZSA-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