General Information of the Compound
| Compound ID |
CP0578000
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| Compound Name |
8-(cyclopropanecarbonyl)-12-methyl-4-(methylsulfonylmethyl)-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-14-one
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
Cn1cc2CN(C(=O)C3CC3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
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| InChI |
InChI=1S/C21H21N3O4S/c1-23-9-14-10-24(21(26)13-4-5-13)17-6-3-12(11-29(2,27)28)7-15(17)16-8-22-20(25)19(23)18(14)16/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,22,25)
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| InChIKey |
PLXYJHNQCLTANR-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