General Information of the Compound
| Compound ID |
CP0380590
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| Compound Name |
4-[4-(2-phenylethyl)piperazin-1-yl]-5-propylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C22H26N6
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| Molecular Weight |
374.492
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| Canonical SMILES |
CCCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
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| InChI |
InChI=1S/C22H26N6/c1-2-9-28-16-19(15-23)20-21(28)22(25-17-24-20)27-13-11-26(12-14-27)10-8-18-6-4-3-5-7-18/h3-7,16-17H,2,8-14H2,1H3
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| InChIKey |
ZSOWQCNPHFMCNX-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