General Information of the Compound
| Compound ID |
CP0380469
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| Compound Name |
(R)-2-Phenyl-4-(4-phenyl-piperazin-1-ylmethyl)-1,4,5,6-tetrahydro-pyrimidine
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| Structure |
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| Formula |
C21H26N4
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| Molecular Weight |
334.467
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| Canonical SMILES |
C([C@H]1CCNC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H26N4/c1-3-7-18(8-4-1)21-22-12-11-19(23-21)17-24-13-15-25(16-14-24)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,22,23)/t19-/m1/s1
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| InChIKey |
BJWYIHWMKMZYRS-LJQANCHMSA-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