General Information of the Compound
| Compound ID |
CP0885533
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| Compound Name |
(S)-5-Phenethyl-3-(3-piperidin-1-yl-propyl)-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-imidazolidine-2,4-dione
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| Structure |
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| Formula |
C33H37N7O2
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| Molecular Weight |
563.706
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| Canonical SMILES |
O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1CCCN1CCCCC1
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| InChI |
InChI=1S/C33H37N7O2/c41-32-30(19-16-25-10-3-1-4-11-25)40(33(42)39(32)23-9-22-38-20-7-2-8-21-38)24-26-14-17-27(18-15-26)28-12-5-6-13-29(28)31-34-36-37-35-31/h1,3-6,10-15,17-18,30H,2,7-9,16,19-24H2,(H,34,35,36,37)/t30-/m0/s1
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| InChIKey |
BQEAZZBXJXWMPD-PMERELPUSA-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