General Information of the Compound
| Compound ID |
CP0471979
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| Compound Name |
1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]phenyl]urea
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| Structure |
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| Formula |
C25H30N10O2S
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| Molecular Weight |
534.65
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| Canonical SMILES |
CCN1CCN(CC1)c1nc(C)nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)n1
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| InChI |
InChI=1S/C25H30N10O2S/c1-4-19-14-21(33-37-19)30-24(36)29-18-8-6-17(7-9-18)20-15-26-25(38-20)32-22-27-16(3)28-23(31-22)35-12-10-34(5-2)11-13-35/h6-9,14-15H,4-5,10-13H2,1-3H3,(H2,29,30,33,36)(H,26,27,28,31,32)
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| InChIKey |
KAHWPKVYLPYBER-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