General Information of the Compound
| Compound ID |
CP0857836
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| Compound Name |
(Sp)-2-Methylthioadenosine 5'-O-(alpha-Borano)diphosphate
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| Formula |
C11H17BN5Na3O9P2S
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| Molecular Weight |
537.08
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| Canonical SMILES |
[BH3-][P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(SC)nc32)[C@H](O)[C@@H]1O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
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| InChI |
InChI=1S/C11H19BN5O9P2S.3Na/c1-29-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(25-10)2-24-27(12,20)26-28(21,22)23;;;/h3-4,6-7,10,18-19H,2H2,1,12H3,(H2,13,15,16)(H2,21,22,23);;;/q-1;3*+1/p-2/t4-,6-,7-,10-,27+;;;/m1.../s1
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| InChIKey |
QANLRLNSAJRNNX-ALZIOWCLSA-L
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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