General Information of the Compound
| Compound ID |
CP0491282
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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-(3-methoxypropyl)thiourea
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| Structure |
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| Formula |
C29H36ClN3O5S
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| Molecular Weight |
574.143
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| Canonical SMILES |
COCCCNC(=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/C29H36ClN3O5S/c1-37-13-3-12-31-29(39)32-15-23-25(34)26(35)27(36)28(38-23)33-16-20(24-21(30)4-2-5-22(24)33)14-17-6-8-18(9-7-17)19-10-11-19/h2,4-9,16,19,23,25-28,34-36H,3,10-15H2,1H3,(H2,31,32,39)/t23-,25-,26+,27-,28-/m1/s1
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| InChIKey |
SUWMOWQQMQKOGJ-TWHDSSIESA-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