General Information of the Compound
| Compound ID |
CP0852222
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| Compound Name |
N4-Benzyloxycytidine 5'-Diphosphate triethylammonium Salt
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| Structure |
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| Formula |
C22H36N4O12P2
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| Molecular Weight |
610.494
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| Canonical SMILES |
CCN(CC)CC.O=c1[nH]/c(=N\OCc2ccccc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C16H21N3O12P2.C6H15N/c20-13-11(9-29-33(26,27)31-32(23,24)25)30-15(14(13)21)19-7-6-12(17-16(19)22)18-28-8-10-4-2-1-3-5-10;1-4-7(5-2)6-3/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,17,18,22)(H2,23,24,25);4-6H2,1-3H3/t11-,13-,14-,15-;/m1./s1
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| InChIKey |
AEIHJAGESPJDDO-MOAMTLHQSA-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