General Information of the Compound
| Compound ID |
CP0396214
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| Compound Name |
N-[[(1R,2R)-2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclopropyl]methyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C25H26Cl2N4O
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| Molecular Weight |
469.416
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| Canonical SMILES |
Clc1cccc(N2CCN(C[C@@H]3C[C@H]3CNC(=O)c3ccnc4ccccc34)CC2)c1Cl
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| InChI |
InChI=1S/C25H26Cl2N4O/c26-21-5-3-7-23(24(21)27)31-12-10-30(11-13-31)16-18-14-17(18)15-29-25(32)20-8-9-28-22-6-2-1-4-19(20)22/h1-9,17-18H,10-16H2,(H,29,32)/t17-,18-/m0/s1
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| InChIKey |
MOIAIVHWYHJNIE-ROUUACIJSA-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