General Information of the Compound
| Compound ID |
CP0845400
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| Compound Name |
(S)-5-(1H-Indol-3-ylmethyl)-3-piperidin-4-yl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-imidazolidine-2,4-dione
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| Structure |
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| Formula |
C31H30N8O2
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| Molecular Weight |
546.635
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| Canonical SMILES |
O=C1[C@H](Cc2c[nH]c3ccccc23)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1C1CCNCC1
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| InChI |
InChI=1S/C31H30N8O2/c40-30-28(17-22-18-33-27-8-4-3-6-25(22)27)38(31(41)39(30)23-13-15-32-16-14-23)19-20-9-11-21(12-10-20)24-5-1-2-7-26(24)29-34-36-37-35-29/h1-12,18,23,28,32-33H,13-17,19H2,(H,34,35,36,37)/t28-/m0/s1
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| InChIKey |
HFIJMFZISRFTEP-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