General Information of the Compound
| Compound ID |
CP0111076
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| Compound Name |
2-(6-(4-(2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
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| Structure |
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| Formula |
C18H24N8S
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| Molecular Weight |
384.513
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| Canonical SMILES |
N#Cc1cnc(Nc2cc(ncn2)N2CCN(CCN3CCCC3)CC2)s1
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| InChI |
InChI=1S/C18H24N8S/c19-12-15-13-20-18(27-15)23-16-11-17(22-14-21-16)26-9-7-25(8-10-26)6-5-24-3-1-2-4-24/h11,13-14H,1-10H2,(H,20,21,22,23)
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| InChIKey |
QYYAYVNSUQADLI-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