General Information of the Compound
| Compound ID |
CP0407603
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| Compound Name |
(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-ethyl}-piperazin-1-yl)-(1H-indol-3-yl)-methanone
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| Structure |
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| Formula |
C28H36N4O2
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| Molecular Weight |
460.622
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)C1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C28H36N4O2/c1-2-12-31(22-10-11-23-21(19-22)6-5-9-27(23)33)16-13-30-14-17-32(18-15-30)28(34)25-20-29-26-8-4-3-7-24(25)26/h3-9,20,22,29,33H,2,10-19H2,1H3
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| InChIKey |
RMHOFEFHGRLHFR-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor