General Information of the Compound
| Compound ID |
CP0391325
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| Compound Name |
4-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C26H27Cl2N3O3
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| Molecular Weight |
500.426
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| Canonical SMILES |
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]c(=O)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C26H27Cl2N3O3/c27-23-6-5-19(15-24(23)28)34-18-9-13-30(14-10-18)17-7-11-31(12-8-17)26(33)22-16-29-25(32)21-4-2-1-3-20(21)22/h1-6,15-18H,7-14H2,(H,29,32)
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| InChIKey |
CCJZAFYMSHLKFH-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor