General Information of the Compound
| Compound ID |
CP0131851
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| Compound Name |
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
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| Structure |
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| Formula |
C18H15ClF3N9O2
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| Molecular Weight |
481.826
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| Canonical SMILES |
CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(c2)C(F)(F)F)-n2nccn2)cnc2cc(Cl)nn12
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| InChI |
InChI=1S/C18H15ClF3N9O2/c1-9(33-2)15-12(8-23-14-6-13(19)29-30(14)15)28-17(32)27-10-5-11(18(20,21)22)16(24-7-10)31-25-3-4-26-31/h3-9H,1-2H3,(H2,27,28,32)/t9-/m0/s1
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| InChIKey |
DQAMYCOSCKYKTB-VIFPVBQESA-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