General Information of the Compound
| Compound ID |
CP0427157
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| Compound Name |
N,N-bis(pyridin-2-ylmethyl)-1-[6-(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)c1ccc2cc(CN3CCCNCCNCCCNCC3)ccc2c1
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| InChI |
InChI=1S/C34H45N7/c1-3-16-38-33(7-1)27-41(28-34-8-2-4-17-39-34)26-30-10-12-31-23-29(9-11-32(31)24-30)25-40-21-6-15-36-19-18-35-13-5-14-37-20-22-40/h1-4,7-12,16-17,23-24,35-37H,5-6,13-15,18-22,25-28H2
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| InChIKey |
WJBAMZWKENBNHU-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