General Information of the Compound
| Compound ID |
CP0542763
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| Compound Name |
4-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2-N-[2-(1H-indol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
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| Structure |
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| Formula |
C27H33Cl2N9
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| Molecular Weight |
554.53
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| Canonical SMILES |
Nc1nc(NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1
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| InChI |
InChI=1S/C27H33Cl2N9/c28-21-7-5-9-23(24(21)29)38-16-14-37(15-17-38)13-4-3-11-31-26-34-25(30)35-27(36-26)32-12-10-19-18-33-22-8-2-1-6-20(19)22/h1-2,5-9,18,33H,3-4,10-17H2,(H4,30,31,32,34,35,36)
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| InChIKey |
XFPTZPCTBFZTJN-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor