General Information of the Compound
| Compound ID |
CP0504953
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| Compound Name |
4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carbonitrile
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| Structure |
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| Formula |
C23H26N6
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| Molecular Weight |
386.503
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| Canonical SMILES |
N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2
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| InChIKey |
WUUUPJQNNUBMKM-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000348 | H69AR | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 39900 nM
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TI
LI
LO
TS
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