General Information of the Compound
| Compound ID |
CP0897003
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| Compound Name |
4,7,10,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-yl{4-[4,7,10,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-ylmethyl]phenyl}methane;octahydrobromide
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| Structure |
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| Formula |
C34H51BrN8
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| Molecular Weight |
651.742
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| Canonical SMILES |
Br.c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2
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| InChI |
InChI=1S/C34H50N8.BrH/c1-3-31-11-15-35-19-23-41(24-20-36-16-12-32(4-1)39-31)27-29-7-9-30(10-8-29)28-42-25-21-37-17-13-33-5-2-6-34(40-33)14-18-38-22-26-42;/h1-10,35-38H,11-28H2;1H
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| InChIKey |
MQEQLRFMVJDIER-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