General Information of the Compound
| Compound ID |
CP0905323
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| Compound Name |
methyl 4-((R)-1-(2-aminoacetyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxybutylcarbamate
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| Structure |
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| Formula |
C27H36FN3O4
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| Molecular Weight |
485.6
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| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CN)C2)c1
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| InChI |
InChI=1S/C27H36FN3O4/c1-3-19-8-4-9-20(16-19)25-22(11-5-12-23(25)28)27(34,13-7-14-30-26(33)35-2)21-10-6-15-31(18-21)24(32)17-29/h4-5,8-9,11-12,16,21,34H,3,6-7,10,13-15,17-18,29H2,1-2H3,(H,30,33)/t21-,27?/m1/s1
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| InChIKey |
XSLPETVYZIAHCY-XJQHNOHDSA-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