General Information of the Compound
| Compound ID |
CP0334956
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| Compound Name |
4-{[(2S,4S)-4-fluoro-1-{2-[3-methoxy-4-({[2-(propan-2-yl)phenyl]carbamoyl}amino)phenyl]acetyl}pyrrolidin-2-yl]methoxy}benzoic acid
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| Structure |
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| Formula |
C31H34FN3O6
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| Molecular Weight |
563.626
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| Canonical SMILES |
COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C(C)C
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| InChI |
InChI=1S/C31H34FN3O6/c1-19(2)25-6-4-5-7-26(25)33-31(39)34-27-13-8-20(14-28(27)40-3)15-29(36)35-17-22(32)16-23(35)18-41-24-11-9-21(10-12-24)30(37)38/h4-14,19,22-23H,15-18H2,1-3H3,(H,37,38)(H2,33,34,39)/t22-,23-/m0/s1
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| InChIKey |
MSLKEFBOXBUEPF-GOTSBHOMSA-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