General Information of the Compound
| Compound ID |
CP0919449
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| Compound Name |
4-tert-butyl-6-(piperazin-1-yl)-2-(1H-pyrrol-1-yl)pyrimidine
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| Structure |
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| Formula |
C16H23N5
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| Molecular Weight |
285.395
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| Canonical SMILES |
CC(C)(C)c1cc(N2CCNCC2)nc(-n2cccc2)n1
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| InChI |
InChI=1S/C16H23N5/c1-16(2,3)13-12-14(20-10-6-17-7-11-20)19-15(18-13)21-8-4-5-9-21/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3
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| InChIKey |
YCRQTTINJYMZKH-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