General Information of the Compound
| Compound ID |
CP0117900
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| Compound Name |
methyl N-[4-[(3R)-1-[(2S)-4-amino-2-hydroxybutanoyl]piperidin-3-yl]-4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxybutyl]carbamate
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| Structure |
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| Formula |
C29H40FN3O5
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| Molecular Weight |
529.653
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)[C@@H](O)CCN
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| InChI |
InChI=1S/C29H40FN3O5/c1-3-20-8-4-9-21(18-20)26-23(11-5-12-24(26)30)29(37,14-7-16-32-28(36)38-2)22-10-6-17-33(19-22)27(35)25(34)13-15-31/h4-5,8-9,11-12,18,22,25,34,37H,3,6-7,10,13-17,19,31H2,1-2H3,(H,32,36)/t22-,25+,29?/m1/s1
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| InChIKey |
LJYSDXPCOJVQRZ-VFEGMVRJSA-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