General Information of the Compound
| Compound ID |
CP0435223
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| Compound Name |
N,N-bis(pyridin-2-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine
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| Structure |
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| Formula |
C30H43N7
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| Molecular Weight |
501.723
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| Canonical SMILES |
C(N(Cc1ccccn1)Cc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
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| InChI |
InChI=1S/C30H43N7/c1-3-16-34-29(7-1)25-37(26-30-8-2-4-17-35-30)24-28-11-9-27(10-12-28)23-36-21-6-15-32-19-18-31-13-5-14-33-20-22-36/h1-4,7-12,16-17,31-33H,5-6,13-15,18-26H2
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| InChIKey |
AXXQBIPPXRBVCU-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