General Information of the Compound
| Compound ID |
CP0036303
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoquinolin-1-amine
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| Structure |
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| Formula |
C23H26Cl2N4
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| Molecular Weight |
429.395
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl
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| InChI |
InChI=1S/C23H26Cl2N4/c24-20-8-5-9-21(22(20)25)29-16-14-28(15-17-29)13-4-3-11-26-23-19-7-2-1-6-18(19)10-12-27-23/h1-2,5-10,12H,3-4,11,13-17H2,(H,26,27)
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| InChIKey |
DPAGUJADGMJVKD-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