General Information of the Compound
| Compound ID |
CP0468983
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| Compound Name |
(2S)-2-[[5-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C18H19N5O6S
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| Molecular Weight |
433.446
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| Canonical SMILES |
Nc1nc2[nH]cc(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
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| InChI |
InChI=1S/C18H19N5O6S/c19-18-22-14-13(16(27)23-18)8(7-20-14)1-2-9-3-5-11(30-9)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,7,10H,1-2,4,6H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t10-/m0/s1
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| InChIKey |
CTSPVOIVQCLQLX-JTQLQIEISA-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