General Information of the Compound
| Compound ID |
CP0476826
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| Compound Name |
N,N-bis(pyridin-2-ylmethyl)-1-[5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)naphthalen-2-yl]methanamine
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| Structure |
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| Formula |
C34H45N7
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| Molecular Weight |
551.783
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| Canonical SMILES |
C(N(Cc1ccccn1)Cc1ccccn1)c1ccc2c(CN3CCCNCCNCCCNCC3)cccc2c1
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| InChI |
InChI=1S/C34H45N7/c1-3-17-38-32(10-1)27-41(28-33-11-2-4-18-39-33)25-29-12-13-34-30(24-29)8-5-9-31(34)26-40-22-7-16-36-20-19-35-14-6-15-37-21-23-40/h1-5,8-13,17-18,24,35-37H,6-7,14-16,19-23,25-28H2
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| InChIKey |
UMLRUQWOHQATFD-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