General Information of the Compound
| Compound ID |
CP0481036
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| Compound Name |
(1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyridin-5-yl)-vinyl]-phenyl}-3-[3-(1-hydroxy-cyclobutyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C34H33Cl2NO3S2
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| Molecular Weight |
638.682
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| Canonical SMILES |
OC(=O)CC1(CS[C@H](CCc2cccc(c2)C2(O)CCC2)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
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| InChI |
InChI=1S/C34H33Cl2NO3S2/c35-30-31-28(42-32(30)36)13-11-26(37-31)10-8-22-4-1-6-24(18-22)27(41-21-33(16-17-33)20-29(38)39)12-9-23-5-2-7-25(19-23)34(40)14-3-15-34/h1-2,4-8,10-11,13,18-19,27,40H,3,9,12,14-17,20-21H2,(H,38,39)/b10-8+/t27-/m1/s1
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| InChIKey |
KEGQUGIJAFPXHO-LNYWEAQCSA-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