General Information of the Compound
| Compound ID |
CP0435221
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| Compound Name |
N,N-bis(pyridin-2-ylmethyl)-1-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]pyridin-4-yl]methanamine
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| Structure |
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| Formula |
C35H46N8
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| Molecular Weight |
578.809
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| Canonical SMILES |
C(N(Cc1ccccn1)Cc1ccccn1)c1ccnc(c1)-c1cccc(CN2CCCNCCNCCCNCC2)c1
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| InChI |
InChI=1S/C35H46N8/c1-3-16-39-33(10-1)28-43(29-34-11-2-4-17-40-34)27-31-12-18-41-35(25-31)32-9-5-8-30(24-32)26-42-22-7-15-37-20-19-36-13-6-14-38-21-23-42/h1-5,8-12,16-18,24-25,36-38H,6-7,13-15,19-23,26-29H2
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| InChIKey |
WHOBCJQUBKORGU-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