General Information of the Compound
| Compound ID |
CP0410601
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| Compound Name |
N-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H41N7O
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| Molecular Weight |
491.684
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| Canonical SMILES |
CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
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| InChI |
InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)
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| InChIKey |
BSVRQWRWWJQETN-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