General Information of the Compound
| Compound ID |
CP0460566
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| Compound Name |
3-[[(1R)-2-[3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidin-1-yl]-1-phenylethyl]amino]propane-1-sulfonic acid
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| Structure |
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| Formula |
C34H36F7N5O6S
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| Molecular Weight |
775.744
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| Canonical SMILES |
Cc1c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(=O)n(C[C@H](NCCCS(O)(=O)=O)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C34H36F7N5O6S/c1-22-30(44-16-14-43(15-17-44)19-24-11-12-29(52-24)34(39,40)41)31(47)46(21-28(23-7-3-2-4-8-23)42-13-6-18-53(49,50)51)32(48)45(22)20-25-26(33(36,37)38)9-5-10-27(25)35/h2-5,7-12,28,42H,6,13-21H2,1H3,(H,49,50,51)/t28-/m0/s1
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| InChIKey |
HFRTWCLOQBAYEQ-NDEPHWFRSA-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