General Information of the Compound
| Compound ID |
CP0283340
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| Compound Name |
6-chloro-N-methyl-17-(4-methylpiperazin-1-yl)-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-10-carboxamide
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| Structure |
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| Formula |
C25H28ClN7O
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| Molecular Weight |
478
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| Canonical SMILES |
CNC(=O)c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
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| InChI |
InChI=1S/C25H28ClN7O/c1-27-24(34)19-7-4-16-3-5-17-14-18(6-8-22(17)33-11-9-32(2)10-12-33)29-25-28-15-20(26)23(31-25)30-21(19)13-16/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H,27,34)(H2,28,29,30,31)
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| InChIKey |
PQJZDFQHGGDZCE-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