General Information of the Compound
| Compound ID |
CP0873804
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| Compound Name |
Cyclopentyl-8-phenyladenosine-diphosphate
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| Structure |
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| Formula |
C21H27N5O10P2
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| Molecular Weight |
571.42
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| Canonical SMILES |
Nc1ncnc2c1nc(-c1ccccc1)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2CCCC2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H27N5O10P2/c22-18-15-20(24-11-23-18)26(19(25-15)12-6-2-1-3-7-12)21-17(28)16(27)14(34-21)10-33-37(29,30)36-38(31,32)35-13-8-4-5-9-13/h1-3,6-7,11,13-14,16-17,21,27-28H,4-5,8-10H2,(H,29,30)(H,31,32)(H2,22,23,24)/t14-,16-,17-,21-/m1/s1
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| InChIKey |
AUMYXUITSNRXCL-VGKBRBPRSA-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