General Information of the Compound
| Compound ID |
CP0906998
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| Compound Name |
(4-(N-(3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl)-2,2,2-trifluoroacetamido)benzoyl)-L-glutamic acid
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| Structure |
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| Formula |
C23H23F3N6O7
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| Molecular Weight |
552.466
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| Canonical SMILES |
Nc1nc2[nH]c(CCCN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H23F3N6O7/c24-23(25,26)21(39)32(9-1-2-12-10-14-17(28-12)30-22(27)31-19(14)36)13-5-3-11(4-6-13)18(35)29-15(20(37)38)7-8-16(33)34/h3-6,10,15H,1-2,7-9H2,(H,29,35)(H,33,34)(H,37,38)(H4,27,28,30,31,36)/t15-/m0/s1
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| InChIKey |
WNMJNDYPFZLFMO-HNNXBMFYSA-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