General Information of the Compound
| Compound ID |
CP0391644
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| Compound Name |
5-(furan-2-yl)-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H28N6O4
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| Molecular Weight |
464.526
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| Canonical SMILES |
COc1ccc2onc(N3CCN(CCCCNC(=O)c4cc(n[nH]4)-c4ccco4)CC3)c2c1
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| InChI |
InChI=1S/C24H28N6O4/c1-32-17-6-7-21-18(15-17)23(28-34-21)30-12-10-29(11-13-30)9-3-2-8-25-24(31)20-16-19(26-27-20)22-5-4-14-33-22/h4-7,14-16H,2-3,8-13H2,1H3,(H,25,31)(H,26,27)
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| InChIKey |
MQCABDUKZLMPQP-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