General Information of the Compound
| Compound ID |
CP0189137
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| Compound Name |
methyl N-[4-[(3R)-1-[4-(dimethylamino)butanoyl]piperidin-3-yl]-4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxybutyl]carbamate
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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(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)CCCN(C)C
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| InChI |
InChI=1S/C31H44FN3O4/c1-5-23-11-6-12-24(21-23)29-26(14-7-15-27(29)32)31(38,17-10-18-33-30(37)39-4)25-13-8-20-35(22-25)28(36)16-9-19-34(2)3/h6-7,11-12,14-15,21,25,38H,5,8-10,13,16-20,22H2,1-4H3,(H,33,37)/t25-,31?/m1/s1
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| InChIKey |
WCDPSRJZKOXEJJ-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