General Information of the Compound
| Compound ID |
CP0889562
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| Compound Name |
(S)-Methanocarbauridine5'-Triphosphate Triethylammonium salt
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| Structure |
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| Formula |
C17H32N3O14P3
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| Molecular Weight |
595.372
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| Canonical SMILES |
CCN(CC)CC.O=c1ccn([C@@]23C[C@H]2[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]1
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| InChI |
InChI=1S/C11H17N2O14P3.C6H15N/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-25-29(21,22)27-30(23,24)26-28(18,19)20;1-4-7(5-2)6-3/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20);4-6H2,1-3H3/t5-,6-,8+,9+,11-;/m0./s1
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| InChIKey |
KIZYLLIBNRZPJA-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
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6