General Information of the Compound
| Compound ID |
CP0285873
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| Compound Name |
6-chloro-17-(4-methylpiperazin-1-yl)-10-propan-2-ylsulfonyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene
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| Structure |
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| Formula |
C26H31ClN6O2S
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| Molecular Weight |
527.094
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| Canonical SMILES |
CC(C)S(=O)(=O)c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
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| InChI |
InChI=1S/C26H31ClN6O2S/c1-17(2)36(34,35)24-9-5-18-4-6-19-15-20(7-8-23(19)33-12-10-32(3)11-13-33)29-26-28-16-21(27)25(31-26)30-22(24)14-18/h5,7-9,14-17H,4,6,10-13H2,1-3H3,(H2,28,29,30,31)
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| InChIKey |
CALYEAJTMOGFMG-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