General Information of the Compound
| Compound ID |
CP0896728
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| Compound Name |
(S)-3-(3-Amino-propyl)-5-phenethyl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-imidazolidine-2,4-dione
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| Structure |
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| Formula |
C28H29N7O2
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| Molecular Weight |
495.587
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| Canonical SMILES |
NCCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O
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| InChI |
InChI=1S/C28H29N7O2/c29-17-6-18-34-27(36)25(16-13-20-7-2-1-3-8-20)35(28(34)37)19-21-11-14-22(15-12-21)23-9-4-5-10-24(23)26-30-32-33-31-26/h1-5,7-12,14-15,25H,6,13,16-19,29H2,(H,30,31,32,33)/t25-/m0/s1
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| InChIKey |
PFINALOXYBWKEC-VWLOTQADSA-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