General Information of the Compound
| Compound ID |
CP0462393
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-6-[(4-cyclopentyltriazol-1-yl)methyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C31H35ClN4O4
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| Molecular Weight |
563.098
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| Canonical SMILES |
O[C@@H]1[C@@H](Cn2cc(nn2)C2CCCC2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C31H35ClN4O4/c32-23-6-3-7-25-27(23)22(14-18-8-10-19(11-9-18)20-12-13-20)15-36(25)31-30(39)29(38)28(37)26(40-31)17-35-16-24(33-34-35)21-4-1-2-5-21/h3,6-11,15-16,20-21,26,28-31,37-39H,1-2,4-5,12-14,17H2/t26-,28-,29+,30-,31-/m1/s1
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| InChIKey |
XRNKOEJLXXFMMZ-OVFXHNNVSA-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