General Information of the Compound
| Compound ID |
CP0508239
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| Compound Name |
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
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| Structure |
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| Formula |
C23H24N6O2
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| Molecular Weight |
416.485
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| Canonical SMILES |
N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C23H24N6O2/c24-12-17-18-3-1-2-6-29(18)22-21(17)25-14-26-23(22)28-9-7-27(8-10-28)13-16-4-5-19-20(11-16)31-15-30-19/h4-5,11,14H,1-3,6-10,13,15H2
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| InChIKey |
ZHORVTCTYNRDGE-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