General Information of the Compound
| Compound ID |
CP0378034
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| Compound Name |
N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-3-pyrimidin-2-ylbenzamide
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| Structure |
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| Formula |
C27H30N6O3
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| Molecular Weight |
486.576
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| Canonical SMILES |
COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(c4)-c4ncccn4)CC3)c2c1
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| InChI |
InChI=1S/C27H30N6O3/c1-35-22-8-9-24-23(19-22)26(31-36-24)33-16-14-32(15-17-33)13-3-2-10-30-27(34)21-7-4-6-20(18-21)25-28-11-5-12-29-25/h4-9,11-12,18-19H,2-3,10,13-17H2,1H3,(H,30,34)
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| InChIKey |
BPMOXLBZGFFVMW-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