General Information of the Compound
| Compound ID |
CP0378037
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| Compound Name |
N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
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| Structure |
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| Formula |
C23H26N6O4
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| Molecular Weight |
450.499
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| Canonical SMILES |
COc1ccc2onc(N3CCN(CCCCNC(=O)c4ccc5nonc5c4)CC3)c2c1
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| InChI |
InChI=1S/C23H26N6O4/c1-31-17-5-7-21-18(15-17)22(27-32-21)29-12-10-28(11-13-29)9-3-2-8-24-23(30)16-4-6-19-20(14-16)26-33-25-19/h4-7,14-15H,2-3,8-13H2,1H3,(H,24,30)
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| InChIKey |
CWNXARPODKGZCQ-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor