General Information of the Compound
| Compound ID |
CP0041034
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| Compound Name |
US8748608, 16
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| Structure |
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| Formula |
C26H28Cl2N4O2
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| Molecular Weight |
499.442
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| Canonical SMILES |
OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)18-21(33)11-13-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
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| InChIKey |
JTJUCUMXKUPFBQ-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
Protein ID: PT01161, D(4) dopamine receptor