General Information of the Compound
| Compound ID |
CP0470445
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| Compound Name |
2-[4-[[2-ethoxy-4-methyl-6-[[(2R)-2-phenylpropyl]carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C34H33N3O4
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| Molecular Weight |
547.655
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| Canonical SMILES |
CCOc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC[C@H](C)c1ccccc1
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| InChI |
InChI=1S/C34H33N3O4/c1-4-41-34-36-31-22(2)18-27(32(38)35-20-23(3)25-10-6-5-7-11-25)19-30(31)37(34)21-24-14-16-26(17-15-24)28-12-8-9-13-29(28)33(39)40/h5-19,23H,4,20-21H2,1-3H3,(H,35,38)(H,39,40)/t23-/m0/s1
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| InChIKey |
PERGYFHQWOPFRA-QHCPKHFHSA-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