General Information of the Compound
| Compound ID |
CP0949662
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| Compound Name |
1-[3-(2-(-4-tert-Butylphenoxy)ethoxy)propyl]-3-methylpiperidine hydrogen oxalate
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| Structure |
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| Formula |
C23H37NO6
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| Molecular Weight |
423.55
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| Canonical SMILES |
CC1CCCN(CCCOCCOc2ccc(C(C)(C)C)cc2)C1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C21H35NO2.C2H2O4/c1-18-7-5-12-22(17-18)13-6-14-23-15-16-24-20-10-8-19(9-11-20)21(2,3)4;3-1(4)2(5)6/h8-11,18H,5-7,12-17H2,1-4H3;(H,3,4)(H,5,6)
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| InChIKey |
IIORKDPNAKETPB-UHFFFAOYSA-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