General Information of the Compound
| Compound ID |
CP0869672
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| Compound Name |
N4-Benzyloxy-(S)-methanocarba-cytidine diphosphate bis-triethylammonium salt
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| Structure |
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| Formula |
C30H53N5O11P2
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| Molecular Weight |
721.726
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\OCc2ccccc2)ccn1[C@]12C[C@H]1[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O
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| InChI |
InChI=1S/C18H23N3O11P2.2C6H15N/c22-15-12(10-31-34(28,29)32-33(25,26)27)13-8-18(13,16(15)23)21-7-6-14(19-17(21)24)20-30-9-11-4-2-1-3-5-11;2*1-4-7(5-2)6-3/h1-7,12-13,15-16,22-23H,8-10H2,(H,28,29)(H,19,20,24)(H2,25,26,27);2*4-6H2,1-3H3/t12-,13-,15+,16+,18+;;/m0../s1
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| InChIKey |
UCAMEWBVVDHJNH-IYQFGLPXSA-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