General Information of the Compound
| Compound ID |
CP0456419
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| Compound Name |
(S)-N-(1-(3,4-difluorobenzyl)pyrrolidin-3-yl)-4-(thiophen-2-yl)benzamide
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| Structure |
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| Formula |
C22H20F2N2OS
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| Molecular Weight |
398.478
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| Canonical SMILES |
Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1F
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| InChI |
InChI=1S/C22H20F2N2OS/c23-19-8-3-15(12-20(19)24)13-26-10-9-18(14-26)25-22(27)17-6-4-16(5-7-17)21-2-1-11-28-21/h1-8,11-12,18H,9-10,13-14H2,(H,25,27)/t18-/m0/s1
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| InChIKey |
VOFRSVXXPJCSAK-SFHVURJKSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01161, D(4) dopamine receptor