General Information of the Compound
| Compound ID |
CP0899288
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| Compound Name |
rac-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
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| Structure |
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| Formula |
C27H34N4O
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| Molecular Weight |
430.596
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2nccc2C1
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| InChI |
InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)
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| InChIKey |
UTFOVXIJDJSMKK-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
Protein ID: PT01161, D(4) dopamine receptor