General Information of the Compound
| Compound ID |
CP0544848
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| Compound Name |
US8586579, 159
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| Formula |
C26H32Cl2N4O2
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| Molecular Weight |
503.474
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| Canonical SMILES |
Clc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)c(Cl)c1
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| InChI |
InChI=1S/C26H32Cl2N4O2/c27-19-3-6-21(23(28)17-19)26(33)30-20-4-1-18(2-5-20)8-11-31-12-14-32(15-13-31)25-22-9-16-34-24(22)7-10-29-25/h3,6-7,10,17-18,20H,1-2,4-5,8-9,11-16H2,(H,30,33)/t18-,20-
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| InChIKey |
KVMPVICKYUXJEP-KESTWPANSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor