General Information of the Compound
| Compound ID |
CP0957174
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| Compound Name |
3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl{4-[3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-ylmethyl]phenyl}methane;octahydrobromide
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| Structure |
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| Formula |
C30H43BrN8
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| Molecular Weight |
595.634
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| Canonical SMILES |
Br.c1cc2nc(c1)CNCCN(Cc1ccc(CN3CCNCc4cccc(n4)CNCC3)cc1)CCNC2
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| InChI |
InChI=1S/C30H42N8.BrH/c1-3-27-19-31-11-15-37(16-12-32-20-28(4-1)35-27)23-25-7-9-26(10-8-25)24-38-17-13-33-21-29-5-2-6-30(36-29)22-34-14-18-38;/h1-10,31-34H,11-24H2;1H
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| InChIKey |
SEYGZBZSKSZJRO-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