General Information of the Compound
| Compound ID |
CP0481823
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| Compound Name |
2-[1-[2-(tert-butylsulfanylmethyl)-4-(2-phenylethylcarbamoyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C30H33N3O3S
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| Molecular Weight |
515.679
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| Canonical SMILES |
Cc1ccc2c(CC(O)=O)cn(-c3ccc(cc3CSC(C)(C)C)C(=O)NCCc3ccccc3)c2n1
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| InChI |
InChI=1S/C30H33N3O3S/c1-20-10-12-25-23(17-27(34)35)18-33(28(25)32-20)26-13-11-22(16-24(26)19-37-30(2,3)4)29(36)31-15-14-21-8-6-5-7-9-21/h5-13,16,18H,14-15,17,19H2,1-4H3,(H,31,36)(H,34,35)
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| InChIKey |
WFPDPAGVOPGKSJ-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