General Information of the Compound
| Compound ID |
CP0816405
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| Compound Name |
(3R,4R)-5-Chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole
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| Structure |
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| Formula |
C19H18ClFN2
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| Molecular Weight |
328.818
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| Canonical SMILES |
F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12
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| InChI |
InChI=1S/C19H18ClFN2/c20-13-6-7-17-14(10-13)18(15-11-22-9-8-16(15)21)19(23-17)12-4-2-1-3-5-12/h1-7,10,15-16,22-23H,8-9,11H2/t15-,16-/m1/s1
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| InChIKey |
PAVYFSUMGRBRPZ-HZPDHXFCSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2