General Information of the Compound
| Compound ID |
CP0110196
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| Compound Name |
6-chloro-19-methoxy-17-(4-methylpiperazin-1-yl)-10-propan-2-ylsulfonyl-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-nonaene
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| Structure |
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| Formula |
C27H33ClN6O3S
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| Molecular Weight |
557.12
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c2CCc3ccc(c(Nc4nc(Nc1c2)ncc4Cl)c3)S(=O)(=O)C(C)C
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| InChI |
InChI=1S/C27H33ClN6O3S/c1-17(2)38(35,36)25-8-6-18-5-7-19-14-21(24(37-4)15-23(19)34-11-9-33(3)10-12-34)31-27-29-16-20(28)26(32-27)30-22(25)13-18/h6,8,13-17H,5,7,9-12H2,1-4H3,(H2,29,30,31,32)
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| InChIKey |
KABKBCZNMKYISM-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