General Information of the Compound
| Compound ID |
CP0552800
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| Compound Name |
N-(cyclopropylmethyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]benzamide
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| Formula |
C24H29Cl2N3O
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| Molecular Weight |
446.422
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCN(CC3CC3)C(=O)c3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C24H29Cl2N3O/c25-21-8-4-9-22(23(21)26)28-16-14-27(15-17-28)12-5-13-29(18-19-10-11-19)24(30)20-6-2-1-3-7-20/h1-4,6-9,19H,5,10-18H2
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| InChIKey |
ZTONLQGEWQVONN-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor