General Information of the Compound
| Compound ID |
CP0852224
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| Compound Name |
N4-Ethoxycytidine 5'-Diphosphate triethylAmmonium Salt
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| Structure |
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| Formula |
C17H34N4O12P2
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| Molecular Weight |
548.423
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| Canonical SMILES |
CCN(CC)CC.CCO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C11H19N3O12P2.C6H15N/c1-2-23-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(25-10)5-24-28(21,22)26-27(18,19)20;1-4-7(5-2)6-3/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20);4-6H2,1-3H3/t6-,8-,9-,10-;/m1./s1
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| InChIKey |
SDMBWEOBBCMGIF-RQDZQORCSA-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