General Information of the Compound
| Compound ID |
CP0416851
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| Compound Name |
N-[3,5-bis(4-methylpiperazin-1-yl)phenyl]-7-chloroquinolin-4-amine
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| Structure |
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| Formula |
C25H31ClN6
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| Molecular Weight |
451.018
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2ccnc3cc(Cl)ccc23)cc(c1)N1CCN(C)CC1
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| InChI |
InChI=1S/C25H31ClN6/c1-29-7-11-31(12-8-29)21-16-20(17-22(18-21)32-13-9-30(2)10-14-32)28-24-5-6-27-25-15-19(26)3-4-23(24)25/h3-6,15-18H,7-14H2,1-2H3,(H,27,28)
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| InChIKey |
OQMAHRYYHFXPBK-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