General Information of the Compound
| Compound ID |
CP0806115
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| Compound Name |
N,N-diethylethanamine;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-[[4-(pentafluoro-lambda6-sulfanyl)phenyl]methoxyamino]pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Formula |
C29H52F5N5O11P2S
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| Molecular Weight |
835.764
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\OCc2ccc(S(F)(F)(F)(F)F)cc2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C17H22F5N3O11P2S.2C6H15N/c18-39(19,20,21,22)11-3-1-10(2-4-11)7-34-24-13-5-6-25(17(28)23-13)16-15(27)14(26)12(36-16)8-35-38(32,33)9-37(29,30)31;2*1-4-7(5-2)6-3/h1-6,12,14-16,26-27H,7-9H2,(H,32,33)(H,23,24,28)(H2,29,30,31);2*4-6H2,1-3H3/t12-,14-,15-,16-;;/m1../s1
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| InChIKey |
QJRFBKJYGKPVAB-BWBFMJMBSA-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