General Information of the Compound
| Compound ID |
CP0647444
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| Compound Name |
N-[3-[(3(R)-Fluoro-1-pyrrolidinyl)methyl]-5-isothiazolyl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine Hydrochloride
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| Structure |
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| Formula |
C18H20ClFN8S
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| Molecular Weight |
434.932
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| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC[C@@H](F)C3)ns2)n1.Cl
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| InChI |
InChI=1S/C18H19FN8S.ClH/c1-11-8-27-15(12-5-21-22-6-12)7-20-18(27)17(23-11)24-16-4-14(25-28-16)10-26-3-2-13(19)9-26;/h4-8,13H,2-3,9-10H2,1H3,(H,21,22)(H,23,24);1H/t13-;/m1./s1
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| InChIKey |
RXDDKURWSZJDPB-BTQNPOSSSA-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