General Information of the Compound
| Compound ID |
CP0409801
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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-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C30H31ClN2O5S
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| Molecular Weight |
567.107
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| Canonical SMILES |
O[C@@H]1[C@@H](CNC(=O)Cc2cccs2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C30H31ClN2O5S/c31-22-4-1-5-23-26(22)20(13-17-6-8-18(9-7-17)19-10-11-19)16-33(23)30-29(37)28(36)27(35)24(38-30)15-32-25(34)14-21-3-2-12-39-21/h1-9,12,16,19,24,27-30,35-37H,10-11,13-15H2,(H,32,34)/t24-,27-,28+,29-,30-/m1/s1
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| InChIKey |
PUVHWUMZTLKKTH-YMIJDRNOSA-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