General Information of the Compound
| Compound ID |
CP0513107
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| Compound Name |
N-[4-[4-(2-tert-butylquinazolin-4-yl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H35N7O
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| Molecular Weight |
485.636
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| Canonical SMILES |
CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c2ccccc2n1
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| InChI |
InChI=1S/C28H35N7O/c1-28(2,3)27-31-22-11-5-4-10-21(22)25(32-27)34-18-16-33(17-19-34)14-9-7-13-29-26(36)23-20-35-15-8-6-12-24(35)30-23/h4-6,8,10-12,15,20H,7,9,13-14,16-19H2,1-3H3,(H,29,36)
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| InChIKey |
FQJVIZLZSFQUTO-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