General Information of the Compound
| Compound ID |
CP0442599
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| Compound Name |
(S)-2-(5-Bromo-2-methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-1,4,5,6-tetrahydro-pyrimidine
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| Structure |
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| Formula |
C22H27BrN4O
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| Molecular Weight |
443.389
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| Canonical SMILES |
COc1ccc(Br)cc1C1=N[C@H](CN2CCN(CC2)c2ccccc2)CCN1
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| InChI |
InChI=1S/C22H27BrN4O/c1-28-21-8-7-17(23)15-20(21)22-24-10-9-18(25-22)16-26-11-13-27(14-12-26)19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3,(H,24,25)/t18-/m0/s1
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| InChIKey |
RVBVZFLMCDGFOZ-SFHVURJKSA-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