General Information of the Compound
| Compound ID |
CP0762386
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| Compound Name |
methyl 4-((R)-1-(6-aminohexanoyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxybutylcarbamate
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| Structure |
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| Formula |
C31H44FN3O4
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| Molecular Weight |
541.708
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| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCCCN)C2)c1
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| InChI |
InChI=1S/C31H44FN3O4/c1-3-23-11-7-12-24(21-23)29-26(14-8-15-27(29)32)31(38,17-10-19-34-30(37)39-2)25-13-9-20-35(22-25)28(36)16-5-4-6-18-33/h7-8,11-12,14-15,21,25,38H,3-6,9-10,13,16-20,22,33H2,1-2H3,(H,34,37)/t25-,31?/m1/s1
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| InChIKey |
RJCONYSMTQWQBS-KZQYXEPFSA-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