General Information of the Compound
| Compound ID |
CP0908152
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| Compound Name |
((3'R,4'R)-4'-hydroxy-1,3'-bipiperidine-1',4-diyl)bis((4-methoxyphenyl)methanone)oxalate
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| Structure |
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| Formula |
C28H34N2O9
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| Molecular Weight |
542.585
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| Canonical SMILES |
COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccc(OC)cc4)CC[C@H]3O)CC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C26H32N2O5.C2H2O4/c1-32-21-7-3-18(4-8-21)25(30)19-11-14-27(15-12-19)23-17-28(16-13-24(23)29)26(31)20-5-9-22(33-2)10-6-20;3-1(4)2(5)6/h3-10,19,23-24,29H,11-17H2,1-2H3;(H,3,4)(H,5,6)/t23-,24-;/m1./s1
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| InChIKey |
URGLLBVZNYVYNM-BNUOYOMZSA-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