General Information of the Compound
| Compound ID |
CP0117740
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| Compound Name |
6-chloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrazin-2-amine
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| Structure |
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| Formula |
C17H22ClN5
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| Molecular Weight |
331.851
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| Canonical SMILES |
Cc1cccc(c1)N1CCN(CCNc2cncc(Cl)n2)CC1
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| InChI |
InChI=1S/C17H22ClN5/c1-14-3-2-4-15(11-14)23-9-7-22(8-10-23)6-5-20-17-13-19-12-16(18)21-17/h2-4,11-13H,5-10H2,1H3,(H,20,21)
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| InChIKey |
JUUSTGOODSLMQW-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