General Information of the Compound
| Compound ID |
CP0078581
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| Compound Name |
N-[6-chloro-19-methoxy-17-(4-methylpiperazin-1-yl)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9,11,13(21),16(20),17-nonaen-10-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C26H32ClN7O3S
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| Molecular Weight |
558.108
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c2CCc3ccc(N(C)S(C)(=O)=O)c(Nc4nc(Nc1c2)ncc4Cl)c3
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| InChI |
InChI=1S/C26H32ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h6,8,13-16H,5,7,9-12H2,1-4H3,(H2,28,29,30,31)
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| InChIKey |
UMZYPCNQAPVNGF-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