General Information of the Compound
| Compound ID |
CP0375972
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| Compound Name |
N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-3-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C27H35N5O4
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| Molecular Weight |
493.608
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| Canonical SMILES |
COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(c4)N4CCOCC4)CC3)c2c1
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| InChI |
InChI=1S/C27H35N5O4/c1-34-23-7-8-25-24(20-23)26(29-36-25)32-13-11-30(12-14-32)10-3-2-9-28-27(33)21-5-4-6-22(19-21)31-15-17-35-18-16-31/h4-8,19-20H,2-3,9-18H2,1H3,(H,28,33)
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| InChIKey |
DNZUVQAJHJARBX-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