General Information of the Compound
| Compound ID |
CP0684961
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| Compound Name |
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((3R)-1-(3-hydroxy-4-(methylamino)butanoyl)piperidin-3-yl)butylcarbamate
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| Structure |
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| Formula |
C30H42FN3O5
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| Molecular Weight |
543.68
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| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC(O)CNC)C2)c1
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| InChI |
InChI=1S/C30H42FN3O5/c1-4-21-9-5-10-22(17-21)28-25(12-6-13-26(28)31)30(38,14-8-15-33-29(37)39-3)23-11-7-16-34(20-23)27(36)18-24(35)19-32-2/h5-6,9-10,12-13,17,23-24,32,35,38H,4,7-8,11,14-16,18-20H2,1-3H3,(H,33,37)/t23-,24?,30?/m1/s1
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| InChIKey |
FWSYQZYECHPKKP-QFYHAUMRSA-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