General Information of the Compound
| Compound ID |
CP0550901
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| Compound Name |
N-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]-4-methyl-2-(sulfanylmethyl)pentanamide
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| Structure |
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| Formula |
C29H36ClN7OS
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| Molecular Weight |
566.175
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| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)C(CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C29H36ClN7OS/c1-4-5-10-26-32-27(30)25(16-31-29(38)22(18-39)15-19(2)3)37(26)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)28-33-35-36-34-28/h6-9,11-14,19,22,39H,4-5,10,15-18H2,1-3H3,(H,31,38)(H,33,34,35,36)
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| InChIKey |
XEQNUFZLHATKSH-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