General Information of the Compound
| Compound ID |
CP0904476
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| Compound Name |
[7-(2H-Pyrazol-3-yl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C18H17N7S
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| Molecular Weight |
363.45
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| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCNC3)c3scc(-c4ccn[nH]4)c3n2)ccn1
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| InChI |
InChI=1S/C18H17N7S/c1-5-19-6-2-11(1)17-23-15-13(14-4-8-21-25-14)10-26-16(15)18(24-17)22-12-3-7-20-9-12/h1-2,4-6,8,10,12,20H,3,7,9H2,(H,21,25)(H,22,23,24)/t12-/m1/s1
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| InChIKey |
DIZLWDYGGFCBNG-GFCCVEGCSA-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