General Information of the Compound
| Compound ID |
CP0422476
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| Compound Name |
N-[3-[1-[3-amino-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]-3-oxopropyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide
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| Structure |
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| Formula |
C43H43F2N7O3
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| Molecular Weight |
743.859
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| Canonical SMILES |
NC(=O)C(CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12)N1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
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| InChI |
InChI=1S/C43H43F2N7O3/c44-30-5-1-28(2-6-30)42(54)49-32-9-11-38-34(21-32)36(23-47-38)26-13-17-51(18-14-26)25-40(41(46)53)52-19-15-27(16-20-52)37-24-48-39-12-10-33(22-35(37)39)50-43(55)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,47-48H,13-20,25H2,(H2,46,53)(H,49,54)(H,50,55)
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| InChIKey |
XYLIOOCBCOUPES-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D