General Information of the Compound
| Compound ID |
CP0645780
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| Compound Name |
2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-ylamino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol Hydrochloride
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| Structure |
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| Formula |
C20H27ClN8OS
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| Molecular Weight |
463.011
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| Canonical SMILES |
CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO.Cl
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| InChI |
InChI=1S/C20H26N8OS.ClH/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18;/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);1H
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| InChIKey |
YBAZMWNWFHDNTH-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