General Information of the Compound
| Compound ID |
CP0439590
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| Compound Name |
N-[(3S)-1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
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| Structure |
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| Formula |
C22H32ClN3O2
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| Molecular Weight |
405.97
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| Canonical SMILES |
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2
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| InChI |
InChI=1S/C22H32ClN3O2/c1-24-19-12-20(28-2)17(11-18(19)23)22(27)25-16-9-10-26(13-16)21-14-5-3-6-15(21)8-4-7-14/h11-12,14-16,21,24H,3-10,13H2,1-2H3,(H,25,27)/t14?,15?,16-,21?/m0/s1
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| InChIKey |
UHNSNEFUZARLIE-SAAHUIRJSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor