General Information of the Compound
| Compound ID |
CP0576412
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| Compound Name |
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C19H24N4O2
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| Molecular Weight |
340.427
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| Canonical SMILES |
COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C19H24N4O2/c1-15(16-4-3-5-18(14-16)25-2)21-19(24)23-12-10-22(11-13-23)17-6-8-20-9-7-17/h3-9,14-15H,10-13H2,1-2H3,(H,21,24)/t15-/m1/s1
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| InChIKey |
SQSIIZGBYLJBMN-OAHLLOKOSA-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