General Information of the Compound
| Compound ID |
CP0545394
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| Compound Name |
4-(3-chlorophenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C11H14ClN3O
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| Molecular Weight |
239.706
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| Canonical SMILES |
NC(=O)N1CCN(CC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C11H14ClN3O/c12-9-2-1-3-10(8-9)14-4-6-15(7-5-14)11(13)16/h1-3,8H,4-7H2,(H2,13,16)
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| InChIKey |
DDHRRRBBKQJRMS-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7