General Information of the Compound
| Compound ID |
CP0451354
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| Compound Name |
2-[1-[[(1R)-3-(2-bromophenyl)-1-[3-[(E)-2-(2,3-dichlorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
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| Structure |
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| Formula |
C30H26BrCl2NO2S2
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| Molecular Weight |
647.487
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| Canonical SMILES |
OC(=O)CC1(CS[C@H](CCc2ccccc2Br)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
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| InChI |
InChI=1S/C30H26BrCl2NO2S2/c31-23-7-2-1-5-20(23)9-12-24(37-18-30(14-15-30)17-26(35)36)21-6-3-4-19(16-21)8-10-22-11-13-25-28(34-22)27(32)29(33)38-25/h1-8,10-11,13,16,24H,9,12,14-15,17-18H2,(H,35,36)/b10-8+/t24-/m1/s1
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| InChIKey |
VMSCZLCBWYPUAI-PVOYRIJTSA-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