General Information of the Compound
| Compound ID |
CP0277135
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| Compound Name |
N-[[(1S,2R)-2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclopropyl]methyl]-4-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C27H28Cl2N4O
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| Molecular Weight |
495.454
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| Canonical SMILES |
Clc1cccc(N2CCN(C[C@@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
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| InChI |
InChI=1S/C27H28Cl2N4O/c28-23-4-3-6-25(26(23)29)33-14-12-32(13-15-33)18-22-16-21(22)17-31-27(34)20-9-7-19(8-10-20)24-5-1-2-11-30-24/h1-11,21-22H,12-18H2,(H,31,34)/t21-,22+/m1/s1
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| InChIKey |
KRMPDMJUDCQCAJ-YADHBBJMSA-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
Protein ID: PT01161, D(4) dopamine receptor