General Information of the Compound
| Compound ID |
CP0890138
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| Compound Name |
(S)-Methanocarbauridine5'-Diphosphate Triammonium salt
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| Structure |
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| Formula |
C11H19N3O11P2
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| Molecular Weight |
431.231
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| Canonical SMILES |
N.O=c1ccn([C@@]23C[C@H]2[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]1
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| InChI |
InChI=1S/C11H16N2O11P2.H3N/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-23-26(21,22)24-25(18,19)20;/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,12,14,17)(H2,18,19,20);1H3/t5-,6-,8+,9+,11-;/m0./s1
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| InChIKey |
JZMABACZHOBAHR-QJXOTMQHSA-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