General Information of the Compound
| Compound ID |
CP0554884
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| Compound Name |
1-[2-bromo-7-[(3S)-3-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-6-methoxypyridin-3-yl)urea
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| Formula |
C18H19BrClN7O3
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| Molecular Weight |
496.753
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| Canonical SMILES |
COc1ncc(NC(=O)Nc2cnc3cc(Br)nn3c2N2CCOC[C@@H]2C)cc1Cl
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| InChI |
InChI=1S/C18H19BrClN7O3/c1-10-9-30-4-3-26(10)17-13(8-21-15-6-14(19)25-27(15)17)24-18(28)23-11-5-12(20)16(29-2)22-7-11/h5-8,10H,3-4,9H2,1-2H3,(H2,23,24,28)/t10-/m0/s1
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| InChIKey |
MUAVECHIWAOHPH-JTQLQIEISA-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