General Information of the Compound
| Compound ID |
CP0462387
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| Compound Name |
N-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]-2-phenylsulfanylacetamide
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| Structure |
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| Formula |
C32H33ClN2O5S
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| Molecular Weight |
593.145
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| Canonical SMILES |
O[C@@H]1[C@@H](CNC(=O)CSc2ccccc2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C32H33ClN2O5S/c33-24-7-4-8-25-28(24)22(15-19-9-11-20(12-10-19)21-13-14-21)17-35(25)32-31(39)30(38)29(37)26(40-32)16-34-27(36)18-41-23-5-2-1-3-6-23/h1-12,17,21,26,29-32,37-39H,13-16,18H2,(H,34,36)/t26-,29-,30+,31-,32-/m1/s1
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| InChIKey |
CIAWWULJJWYJRF-GEBXWWPGSA-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