General Information of the Compound
| Compound ID |
CP0566897
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-6-[(4-cyclopropyltriazol-1-yl)methyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C29H31ClN4O4
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| Molecular Weight |
535.044
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| Canonical SMILES |
O[C@@H]1[C@@H](Cn2cc(nn2)C2CC2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C29H31ClN4O4/c30-21-2-1-3-23-25(21)20(12-16-4-6-17(7-5-16)18-8-9-18)13-34(23)29-28(37)27(36)26(35)24(38-29)15-33-14-22(31-32-33)19-10-11-19/h1-7,13-14,18-19,24,26-29,35-37H,8-12,15H2/t24-,26-,27+,28-,29-/m1/s1
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| InChIKey |
CPEJJGJBLHVSNS-KRZJEZTLSA-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