General Information of the Compound
| Compound ID |
CP0483535
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| Compound Name |
3-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methylamino]-3-oxopropanoic acid
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| Structure |
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| Formula |
C27H29ClN2O7
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| Molecular Weight |
528.989
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| Canonical SMILES |
O[C@@H]1[C@@H](CNC(=O)CC(O)=O)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C27H29ClN2O7/c28-18-2-1-3-19-23(18)17(10-14-4-6-15(7-5-14)16-8-9-16)13-30(19)27-26(36)25(35)24(34)20(37-27)12-29-21(31)11-22(32)33/h1-7,13,16,20,24-27,34-36H,8-12H2,(H,29,31)(H,32,33)/t20-,24-,25+,26-,27-/m1/s1
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| InChIKey |
FYBKOFHVQAGICW-ZJQFWPFFSA-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