General Information of the Compound
| Compound ID |
CP0766749
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| Compound Name |
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((3R)-1-(2-(morpholin-2-yl)acetyl)piperidin-3-yl)butylcarbamate
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| Structure |
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| Formula |
C31H42FN3O5
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| Molecular Weight |
555.691
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| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC3CNCCO3)C2)c1
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| InChI |
InChI=1S/C31H42FN3O5/c1-3-22-8-4-9-23(18-22)29-26(11-5-12-27(29)32)31(38,13-7-14-34-30(37)39-2)24-10-6-16-35(21-24)28(36)19-25-20-33-15-17-40-25/h4-5,8-9,11-12,18,24-25,33,38H,3,6-7,10,13-17,19-21H2,1-2H3,(H,34,37)/t24-,25?,31?/m1/s1
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| InChIKey |
NHTHNSRKHIXMKL-BNDRHBIXSA-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