General Information of the Compound
| Compound ID |
CP0878574
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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)acetamido)benzoyl)-L-glutamic acid
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| Structure |
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| Formula |
C23H26N6O7
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| Molecular Weight |
498.496
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| Canonical SMILES |
CC(=O)N(CCCc1cc2c(=O)[nH]c(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
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| InChI |
InChI=1S/C23H26N6O7/c1-12(30)29(10-2-3-14-11-16-19(25-14)27-23(24)28-21(16)34)15-6-4-13(5-7-15)20(33)26-17(22(35)36)8-9-18(31)32/h4-7,11,17H,2-3,8-10H2,1H3,(H,26,33)(H,31,32)(H,35,36)(H4,24,25,27,28,34)/t17-/m0/s1
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| InChIKey |
DMNZBKJKYWYHAB-KRWDZBQOSA-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