General Information of the Compound
| Compound ID |
CP0479773
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| Compound Name |
1-(5-ethyl-1,2-oxazol-3-yl)-3-[3-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]prop-2-ynyl]urea
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| Structure |
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| Formula |
C22H27N9O2S
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| Molecular Weight |
481.586
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2ncc(s2)C#CCNC(=O)Nc2cc(CC)on2)ncn1
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| InChI |
InChI=1S/C22H27N9O2S/c1-3-16-12-19(29-33-16)27-21(32)23-7-5-6-17-14-24-22(34-17)28-18-13-20(26-15-25-18)31-10-8-30(4-2)9-11-31/h12-15H,3-4,7-11H2,1-2H3,(H2,23,27,29,32)(H,24,25,26,28)
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| InChIKey |
BXPNRAHVPHLRKY-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