General Information of the Compound
| Compound ID |
CP0492257
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| Compound Name |
2-amino-4-(((2S,3S,4R,5R)-5-(7-amino-3H-imidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methylthio)butanoic acid
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| Structure |
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| Formula |
C15H21N5O5S
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| Molecular Weight |
383.43
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| Canonical SMILES |
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12)C(O)=O
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| InChI |
InChI=1S/C15H21N5O5S/c16-7-1-3-18-13-10(7)19-6-20(13)14-12(22)11(21)9(25-14)5-26-4-2-8(17)15(23)24/h1,3,6,8-9,11-12,14,21-22H,2,4-5,17H2,(H2,16,18)(H,23,24)/t8?,9-,11-,12-,14-/m1/s1
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| InChIKey |
RSRCFARQVZZYKV-QZBYRPAYSA-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
Protein ID: PT02598, DNA (cytosine-5)-methyltransferase 1
Protein ID: PT04206, DNA (cytosine-5)-methyltransferase 3B