General Information of the Compound
| Compound ID |
CP0399806
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| Compound Name |
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]butyl]benzamide
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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(cc1)-c1ccccc1)C1CCc2n[nH]cc2C1
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| InChI |
InChI=1S/C27H34N4O/c1-2-17-31(25-14-15-26-24(19-25)20-29-30-26)18-7-6-16-28-27(32)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,25H,2,6-7,14-19H2,1H3,(H,28,32)(H,29,30)
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| InChIKey |
KHDCGMWSBNKZBB-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