General Information of the Compound
| Compound ID |
CP0705220
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| Compound Name |
methyl 4-((R)-1-(2-aminoethylcarbamoyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxybutylcarbamate
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| Structure |
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| Formula |
C28H39FN4O4
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| Molecular Weight |
514.642
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| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)NCCN)C2)c1
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| InChI |
InChI=1S/C28H39FN4O4/c1-3-20-8-4-9-21(18-20)25-23(11-5-12-24(25)29)28(36,13-7-15-32-27(35)37-2)22-10-6-17-33(19-22)26(34)31-16-14-30/h4-5,8-9,11-12,18,22,36H,3,6-7,10,13-17,19,30H2,1-2H3,(H,31,34)(H,32,35)/t22-,28?/m1/s1
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| InChIKey |
HCLJRDWLGZOWIM-WZOMIXFGSA-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