General Information of the Compound
| Compound ID |
CP0499441
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| Compound Name |
(6S)-6-[12-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]dodecyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C38H60N2O2
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| Molecular Weight |
576.91
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| Canonical SMILES |
CCCN(CCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C38H60N2O2/c1-3-25-39(33-21-23-35-31(29-33)17-15-19-37(35)41)27-13-11-9-7-5-6-8-10-12-14-28-40(26-4-2)34-22-24-36-32(30-34)18-16-20-38(36)42/h15-20,33-34,41-42H,3-14,21-30H2,1-2H3/t33-,34-/m0/s1
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| InChIKey |
ZXPLFBMDBNQTIP-HEVIKAOCSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor