General Information of the Compound
| Compound ID |
CP0456795
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-oxofluorene-2-carboxamide
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| Structure |
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| Formula |
C28H27Cl2N3O2
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| Molecular Weight |
508.449
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5C(=O)c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C28H27Cl2N3O2/c29-24-8-5-9-25(26(24)30)33-16-14-32(15-17-33)13-4-3-12-31-28(35)19-10-11-21-20-6-1-2-7-22(20)27(34)23(21)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,31,35)
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| InChIKey |
KYXXZGFCBQFNOQ-UHFFFAOYSA-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