General Information of the Compound
| Compound ID |
CP0072456
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| Compound Name |
methyl N-[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[(3R)-1-(3-piperidin-2-ylpropanoyl)piperidin-3-yl]butyl]carbamate
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| Structure |
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| Formula |
C33H46FN3O4
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| Molecular Weight |
567.746
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)CCC1CCCCN1
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| InChI |
InChI=1S/C33H46FN3O4/c1-3-24-10-6-11-25(22-24)31-28(14-7-15-29(31)34)33(40,18-9-20-36-32(39)41-2)26-12-8-21-37(23-26)30(38)17-16-27-13-4-5-19-35-27/h6-7,10-11,14-15,22,26-27,35,40H,3-5,8-9,12-13,16-21,23H2,1-2H3,(H,36,39)/t26-,27?,33?/m1/s1
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| InChIKey |
NFXUINDPWWKXJW-NSAGKLRKSA-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