General Information of the Compound
| Compound ID |
CP0469361
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| Compound Name |
N-[1-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]tetrazol-5-yl]acetamide;dihydrochloride
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| Structure |
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| Formula |
C22H29Cl2N7O2
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| Molecular Weight |
494.427
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| Canonical SMILES |
Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1NC(C)=O
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| InChI |
InChI=1S/C22H27N7O2.2ClH/c1-15(30)25-22-26-27-28-29(22)18-10-11-20(31-2)17(13-18)14-24-19-9-6-12-23-21(19)16-7-4-3-5-8-16;;/h3-5,7-8,10-11,13,19,21,23-24H,6,9,12,14H2,1-2H3,(H,25,26,28,30);2*1H/t19-,21-;;/m0../s1
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| InChIKey |
LQSYCABKISDSLJ-ANXDEKAJSA-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