General Information of the Compound
| Compound ID |
CP0273714
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| Compound Name |
N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C25H31FN4O3
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| Molecular Weight |
454.546
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| Canonical SMILES |
COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C25H31FN4O3/c1-32-20-7-8-21-18(15-20)16-22(28-21)25(31)27-10-9-19(26)17-29-11-13-30(14-12-29)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,28H,9-14,17H2,1-2H3,(H,27,31)
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| InChIKey |
XUBVWPDKERMCAP-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