General Information of the Compound
| Compound ID |
CP0869673
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| Compound Name |
5-Iodo-(S)-methanocarba-cytidine diphosphate bis-triethylammonium salt
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| Structure |
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| Formula |
C23H45IN4O11P2
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| Molecular Weight |
742.482
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.O=c1[nH]c(=O)n([C@]23C[C@H]2[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)cc1I
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| InChI |
InChI=1S/C11H15IN2O11P2.2C6H15N/c12-6-2-14(10(18)13-9(6)17)11-1-5(11)4(7(15)8(11)16)3-24-27(22,23)25-26(19,20)21;2*1-4-7(5-2)6-3/h2,4-5,7-8,15-16H,1,3H2,(H,22,23)(H,13,17,18)(H2,19,20,21);2*4-6H2,1-3H3/t4-,5-,7+,8+,11+;;/m0../s1
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| InChIKey |
CNOKQZAMHIDVDO-NNMAHWDUSA-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