General Information of the Compound
| Compound ID |
CP0689386
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| Compound Name |
methyl 4-((R)-1-((1S,3R,4S)-3-amino-4-hydroxycyclopentanecarbonyl)piperidin-3-yl)-4-(6-chloro-3'-ethylbiphenyl-2-yl)-4-hydroxybutylcarbamate
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| Structure |
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| Formula |
C31H42ClN3O5
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| Molecular Weight |
572.146
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| Canonical SMILES |
CCc1cccc(-c2c(Cl)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)[C@H]3C[C@@H](N)[C@@H](O)C3)C2)c1
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| InChI |
InChI=1S/C31H42ClN3O5/c1-3-20-8-4-9-21(16-20)28-24(11-5-12-25(28)32)31(39,13-7-14-34-30(38)40-2)23-10-6-15-35(19-23)29(37)22-17-26(33)27(36)18-22/h4-5,8-9,11-12,16,22-23,26-27,36,39H,3,6-7,10,13-15,17-19,33H2,1-2H3,(H,34,38)/t22-,23+,26+,27-,31?/m0/s1
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| InChIKey |
ABUVEJWOEGTUKX-GFQGUXPNSA-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