General Information of the Compound
| Compound ID |
CP0230618
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| Compound Name |
N-hydroxy-2-[2-[6-(6-methoxypyridin-3-yl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H27N7O4
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| Molecular Weight |
489.536
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| Canonical SMILES |
COc1ccc(cn1)-c1cc(OCCN(C(C)C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C25H27N7O4/c1-15(2)32(25-27-12-19(13-28-25)24(33)31-34)7-8-36-21-10-18(17-5-6-22(35-4)26-11-17)9-20-16(3)29-14-30-23(20)21/h5-6,9-15,34H,7-8H2,1-4H3,(H,31,33)
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| InChIKey |
MKBSSERECOKTHX-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