General Information of the Compound
| Compound ID |
CP0537507
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| Compound Name |
2-[4-[[4-methyl-2-methylsulfanyl-6-[[(2S)-2-phenylpropyl]carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C33H31N3O3S
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| Molecular Weight |
549.696
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| Canonical SMILES |
CSc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C33H31N3O3S/c1-21-17-26(31(37)34-19-22(2)24-9-5-4-6-10-24)18-29-30(21)35-33(40-3)36(29)20-23-13-15-25(16-14-23)27-11-7-8-12-28(27)32(38)39/h4-18,22H,19-20H2,1-3H3,(H,34,37)(H,38,39)/t22-/m1/s1
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| InChIKey |
JJCMEMAVTWBINW-JOCHJYFZSA-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