General Information of the Compound
| Compound ID |
CP0880730
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| Compound Name |
endo-8-(1H-Indazol-3-ylmethyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Formula |
C21H22ClN3O
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| Molecular Weight |
367.88
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| Canonical SMILES |
O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c2ccccc12
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| InChI |
InChI=1S/C21H22ClN3O/c22-15-7-5-14(6-8-15)21(26)11-16-9-10-17(12-21)25(16)13-20-18-3-1-2-4-19(18)23-24-20/h1-8,16-17,26H,9-13H2,(H,23,24)/t16-,17+,21+
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| InChIKey |
IHAPBZBYXJKWJA-LFUKPOHLSA-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