General Information of the Compound
| Compound ID |
CP0455150
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| Compound Name |
1-[5-[(3R)-3-[6-(cyclopropylmethoxy)pyridin-3-yl]oxy-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C21H23N5O5
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| Molecular Weight |
425.445
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| Canonical SMILES |
OC(=O)C1CN(C1)c1ncc(cn1)N1CC[C@@H](Oc2ccc(OCC3CC3)nc2)C1=O
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| InChI |
InChI=1S/C21H23N5O5/c27-19-17(31-16-3-4-18(22-9-16)30-12-13-1-2-13)5-6-26(19)15-7-23-21(24-8-15)25-10-14(11-25)20(28)29/h3-4,7-9,13-14,17H,1-2,5-6,10-12H2,(H,28,29)/t17-/m1/s1
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| InChIKey |
FOEAEZSAFFOQDJ-QGZVFWFLSA-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