General Information of the Compound
| Compound ID |
CP0171970
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| Compound Name |
4-Phenethylamino-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carbonitrile
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| Structure |
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| Formula |
C19H19N5
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| Molecular Weight |
317.396
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| Canonical SMILES |
N#Cc1c2CCCCn2c2c(NCCc3ccccc3)ncnc12
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| InChI |
InChI=1S/C19H19N5/c20-12-15-16-8-4-5-11-24(16)18-17(15)22-13-23-19(18)21-10-9-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-11H2,(H,21,22,23)
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| InChIKey |
DVCJSKQKVMMANY-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