General Information of the Compound
| Compound ID |
CP0462383
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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]-3-methylthiourea
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| Structure |
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| Formula |
C26H30ClN3O4S
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| Molecular Weight |
516.063
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| Canonical SMILES |
CNC(=S)NC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C26H30ClN3O4S/c1-28-26(35)29-12-20-22(31)23(32)24(33)25(34-20)30-13-17(21-18(27)3-2-4-19(21)30)11-14-5-7-15(8-6-14)16-9-10-16/h2-8,13,16,20,22-25,31-33H,9-12H2,1H3,(H2,28,29,35)/t20-,22-,23+,24-,25-/m1/s1
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| InChIKey |
UARCHXTVNWKXKS-PRDVQWLOSA-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