General Information of the Compound
| Compound ID |
CP0409804
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| Compound Name |
3-bromo-N-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]propanamide
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| Structure |
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| Formula |
C27H30BrClN2O5
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| Molecular Weight |
577.903
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| Canonical SMILES |
O[C@H]1[C@H](O)[C@@H](CNC(=O)CCBr)O[C@H]([C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C27H30BrClN2O5/c28-11-10-22(32)30-13-21-24(33)25(34)26(35)27(36-21)31-14-18(23-19(29)2-1-3-20(23)31)12-15-4-6-16(7-5-15)17-8-9-17/h1-7,14,17,21,24-27,33-35H,8-13H2,(H,30,32)/t21-,24-,25+,26-,27-/m1/s1
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| InChIKey |
HQERINGMQUGLSK-BYBMWWPSSA-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