General Information of the Compound
| Compound ID |
CP0380589
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| Compound Name |
4-(4-benzylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
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| Structure |
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| Formula |
C22H24N6
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| Molecular Weight |
372.476
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| Canonical SMILES |
N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C22H24N6/c23-14-18-19-8-4-5-9-28(19)21-20(18)24-16-25-22(21)27-12-10-26(11-13-27)15-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-13,15H2
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| InChIKey |
KQIRMESRBXFZNM-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