General Information of the Compound
| Compound ID |
CP0440699
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| Compound Name |
N,N-bis(pyridin-2-ylmethyl)-1-[4-[2-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]phenyl]methanamine
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| Structure |
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| Formula |
C36H47N7
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| Molecular Weight |
577.821
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| Canonical SMILES |
C(N(Cc1ccccn1)Cc1ccccn1)c1ccc(cc1)-c1ccccc1CN1CCCNCCNCCCNCC1
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| InChI |
InChI=1S/C36H47N7/c1-2-12-36(33(9-1)28-42-25-8-19-38-23-22-37-17-7-18-39-24-26-42)32-15-13-31(14-16-32)27-43(29-34-10-3-5-20-40-34)30-35-11-4-6-21-41-35/h1-6,9-16,20-21,37-39H,7-8,17-19,22-30H2
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| InChIKey |
RUGAHLBTPSZPSM-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