General Information of the Compound
| Compound ID |
CP0469543
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| Compound Name |
4-[4-(3,3-Diphenyl-propyl)-[1,4]diazepan-1-ylmethyl]-benzonitrile
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| Structure |
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| Formula |
C28H31N3
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| Molecular Weight |
409.577
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| Canonical SMILES |
N#Cc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C28H31N3/c29-22-24-12-14-25(15-13-24)23-31-18-7-17-30(20-21-31)19-16-28(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-15,28H,7,16-21,23H2
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| InChIKey |
FESKLKADSVWBBY-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