General Information of the Compound
| Compound ID |
CP0078539
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| Compound Name |
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-nonaene
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| Structure |
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| Formula |
C24H27ClN6O
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| Molecular Weight |
450.974
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c2CCc3cccc(Nc4nc(Nc1c2)ncc4Cl)c3
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| InChI |
InChI=1S/C24H27ClN6O/c1-30-8-10-31(11-9-30)21-14-22(32-2)20-13-17(21)7-6-16-4-3-5-18(12-16)27-23-19(25)15-26-24(28-20)29-23/h3-5,12-15H,6-11H2,1-2H3,(H2,26,27,28,29)
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| InChIKey |
PVXFLFNVDPFZIO-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