General Information of the Compound
| Compound ID |
CP0497591
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| Compound Name |
1-(3,3-Diphenyl-propyl)-4-(4-nitro-benzyl)-[1,4]diazepane
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| Structure |
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| Formula |
C27H31N3O2
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| Molecular Weight |
429.564
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C27H31N3O2/c31-30(32)26-14-12-23(13-15-26)22-29-18-7-17-28(20-21-29)19-16-27(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-6,8-15,27H,7,16-22H2
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| InChIKey |
VHFIEAAZWKLLSS-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