General Information of the Compound
| Compound ID |
CP0427154
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| Compound Name |
N,N-bis(pyridin-2-ylmethyl)-1-[4-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)pyridin-2-yl]phenyl]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)c1ccc(cc1)-c1ncccc1CN1CCCNCCNCCCNCC1
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| InChI |
InChI=1S/C35H46N8/c1-3-18-39-33(9-1)28-43(29-34-10-2-4-19-40-34)26-30-11-13-31(14-12-30)35-32(8-5-20-41-35)27-42-24-7-17-37-22-21-36-15-6-16-38-23-25-42/h1-5,8-14,18-20,36-38H,6-7,15-17,21-29H2
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| InChIKey |
PLQAGVXEAUFWBY-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