General Information of the Compound
| Compound ID |
CP0496954
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| Compound Name |
1-Naphthyl(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
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| Structure |
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| Formula |
C22H20N4O
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| Molecular Weight |
356.429
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| Canonical SMILES |
O=C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25)
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| InChIKey |
YOHBTWUHPBXBAS-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7