General Information of the Compound
| Compound ID |
CP0801377
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| Compound Name |
(2R)-2-(1-(4-carboxyphenyl)cyclopropylcarbamoyl)-1-(2-phenoxyethyl)piperidinium chloride
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| Structure |
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| Formula |
C24H29ClN2O4
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| Molecular Weight |
444.959
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| Canonical SMILES |
Cl.O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C24H28N2O4.ClH/c27-22(25-24(13-14-24)19-11-9-18(10-12-19)23(28)29)21-8-4-5-15-26(21)16-17-30-20-6-2-1-3-7-20;/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,25,27)(H,28,29);1H/t21-;/m1./s1
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| InChIKey |
JSDMRLAQHCAIJJ-ZMBIFBSDSA-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