General Information of the Compound
| Compound ID |
CP0101571
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| Compound Name |
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[pyridin-2-yl(pyrrolidin-1-yl)methyl]-1,2-thiazol-5-amine
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| Structure |
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| Formula |
C23H23N9S
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| Molecular Weight |
457.567
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| Canonical SMILES |
Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCC2)c2ccccn2)n1)-c1cn[nH]c1
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| InChI |
InChI=1S/C23H23N9S/c1-15-14-32-19(16-11-26-27-12-16)13-25-23(32)22(28-15)29-20-10-18(30-33-20)21(31-8-4-5-9-31)17-6-2-3-7-24-17/h2-3,6-7,10-14,21H,4-5,8-9H2,1H3,(H,26,27)(H,28,29)
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| InChIKey |
CWAYHIGLCQXMLX-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