General Information of the Compound
| Compound ID |
CP0885520
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| Compound Name |
(S)-5-Phenethyl-3-(3-piperidin-1-yl-propyl)-1-{4-[2-(2H-tetrazol-5-yl)-phenyl]-thiophen-2-ylmethyl}-imidazolidine-2,4-dione
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| Structure |
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| Formula |
C31H35N7O2S
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| Molecular Weight |
569.735
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| Canonical SMILES |
O=C1[C@H](CCc2ccccc2)N(Cc2cc(-c3ccccc3-c3nn[nH]n3)cs2)C(=O)N1CCCN1CCCCC1
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| InChI |
InChI=1S/C31H35N7O2S/c39-30-28(15-14-23-10-3-1-4-11-23)38(31(40)37(30)19-9-18-36-16-7-2-8-17-36)21-25-20-24(22-41-25)26-12-5-6-13-27(26)29-32-34-35-33-29/h1,3-6,10-13,20,22,28H,2,7-9,14-19,21H2,(H,32,33,34,35)/t28-/m0/s1
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| InChIKey |
UAGVBZUKAXYUQM-NDEPHWFRSA-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