General Information of the Compound
| Compound ID |
CP0566895
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| Compound Name |
1-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]triazole-4-carboxylic acid
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| Structure |
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| Formula |
C27H27ClN4O6
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| Molecular Weight |
538.988
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| Canonical SMILES |
O[C@@H]1[C@@H](Cn2cc(nn2)C(O)=O)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C27H27ClN4O6/c28-18-2-1-3-20-22(18)17(10-14-4-6-15(7-5-14)16-8-9-16)11-32(20)26-25(35)24(34)23(33)21(38-26)13-31-12-19(27(36)37)29-30-31/h1-7,11-12,16,21,23-26,33-35H,8-10,13H2,(H,36,37)/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
DIBSKUATJLGIRS-XDXGNBCUSA-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