General Information of the Compound
| Compound ID |
CP0534245
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| Compound Name |
4-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
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| Structure |
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| Formula |
C16H20N6
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| Molecular Weight |
296.378
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| Canonical SMILES |
CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
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| InChI |
InChI=1S/C16H20N6/c1-20-6-8-21(9-7-20)16-15-14(18-11-19-16)12(10-17)13-4-2-3-5-22(13)15/h11H,2-9H2,1H3
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| InChIKey |
CKGDYZYVUMGWBY-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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1