General Information of the Compound
| Compound ID |
CP0572640
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| Compound Name |
4-[[7'-(2-chloro-5-fluorophenyl)-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 |
C21H17ClFN5O3S
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| Molecular Weight |
473.917
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C(=O)C32CC2)c2cc(F)ccc2Cl)cc1
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| InChI |
InChI=1S/C21H17ClFN5O3S/c1-24-32(30,31)14-5-3-13(4-6-14)26-20-25-11-15-18(27-20)28(19(29)21(15)8-9-21)17-10-12(23)2-7-16(17)22/h2-7,10-11,24H,8-9H2,1H3,(H,25,26,27)
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| InChIKey |
BTEZMGVGCNGXKJ-UHFFFAOYSA-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