General Information of the Compound
| Compound ID |
CP0126478
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| Compound Name |
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C25H30ClFN4O
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| Molecular Weight |
456.993
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| Canonical SMILES |
CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
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| InChI |
InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)
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| InChIKey |
OTSVAHKQZLNXPN-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