General Information of the Compound
| Compound ID |
CP0552409
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| Compound Name |
2-[4-[[4-methyl-6-[[(2R)-2-phenylpropyl]carbamoyl]-2-propylsulfanylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C35H35N3O3S
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| Molecular Weight |
577.75
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| Canonical SMILES |
CCCSc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC[C@H](C)c1ccccc1
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| InChI |
InChI=1S/C35H35N3O3S/c1-4-18-42-35-37-32-23(2)19-28(33(39)36-21-24(3)26-10-6-5-7-11-26)20-31(32)38(35)22-25-14-16-27(17-15-25)29-12-8-9-13-30(29)34(40)41/h5-17,19-20,24H,4,18,21-22H2,1-3H3,(H,36,39)(H,40,41)/t24-/m0/s1
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| InChIKey |
MVIFFEJULHCEPV-DEOSSOPVSA-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