General Information of the Compound
| Compound ID |
CP0110370
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| Compound Name |
methyl N-[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[(3R)-1-[3-methoxy-4-(methylamino)butanoyl]piperidin-3-yl]butyl]carbamate
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| Structure |
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| Formula |
C31H44FN3O5
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| Molecular Weight |
557.707
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)CC(CNC)OC
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| InChI |
InChI=1S/C31H44FN3O5/c1-5-22-10-6-11-23(18-22)29-26(13-7-14-27(29)32)31(38,15-9-16-34-30(37)40-4)24-12-8-17-35(21-24)28(36)19-25(39-3)20-33-2/h6-7,10-11,13-14,18,24-25,33,38H,5,8-9,12,15-17,19-21H2,1-4H3,(H,34,37)/t24-,25?,31?/m1/s1
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| InChIKey |
IOEGGUGMGOZOGM-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