General Information of the Compound
| Compound ID |
CP0472714
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| Compound Name |
(10R)-10-(methylamino)-3-[12-(4-phenylbutoxy)dodecyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
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| Structure |
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| Formula |
C33H49N3O2
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| Molecular Weight |
519.774
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| Canonical SMILES |
CN[C@@H]1Cc2cccc3n(CCCCCCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23
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| InChI |
InChI=1S/C33H49N3O2/c1-34-30-26-29-21-17-22-31-32(29)36(27-30)33(37)35(31)23-14-8-6-4-2-3-5-7-9-15-24-38-25-16-13-20-28-18-11-10-12-19-28/h10-12,17-19,21-22,30,34H,2-9,13-16,20,23-27H2,1H3/t30-/m1/s1
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| InChIKey |
KPQQZVGMKIYWDG-SSEXGKCCSA-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