General Information of the Compound
| Compound ID |
CP0298918
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| Compound Name |
4-(2-amino-1H-benzo[d]imidazol-6-ylamino)-6-methyl-7-(3-(pyrrolidin-1-yl)propoxy)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C25H27N7O
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| Molecular Weight |
441.539
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| Canonical SMILES |
Cc1cc2c(Nc3ccc4nc(N)[nH]c4c3)c(cnc2cc1OCCCN1CCCC1)C#N
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| InChI |
InChI=1S/C25H27N7O/c1-16-11-19-21(13-23(16)33-10-4-9-32-7-2-3-8-32)28-15-17(14-26)24(19)29-18-5-6-20-22(12-18)31-25(27)30-20/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,28,29)(H3,27,30,31)
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| InChIKey |
VZIACSKPSQIAFS-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