General Information of the Compound
| Compound ID |
CP0566893
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| Compound Name |
ethyl 4-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutanoate
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| Structure |
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| Formula |
C30H35ClN2O7
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| Molecular Weight |
571.07
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| Canonical SMILES |
CCOC(=O)CCC(=O)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/C30H35ClN2O7/c1-2-39-25(35)13-12-24(34)32-15-23-27(36)28(37)29(38)30(40-23)33-16-20(26-21(31)4-3-5-22(26)33)14-17-6-8-18(9-7-17)19-10-11-19/h3-9,16,19,23,27-30,36-38H,2,10-15H2,1H3,(H,32,34)/t23-,27-,28+,29-,30-/m1/s1
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| InChIKey |
JOPZBCFUUBUUKX-VLYBHXKQSA-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