General Information of the Compound
| Compound ID |
CP0331701
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| Compound Name |
6-chloro-N-[4-(4-phenylpiperazin-1-yl)butyl]pyrazin-2-amine
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| Structure |
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| Formula |
C18H24ClN5
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| Molecular Weight |
345.878
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| Canonical SMILES |
Clc1cncc(NCCCCN2CCN(CC2)c2ccccc2)n1
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| InChI |
InChI=1S/C18H24ClN5/c19-17-14-20-15-18(22-17)21-8-4-5-9-23-10-12-24(13-11-23)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,21,22)
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| InChIKey |
ZJZRPZBCQDGSLP-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