General Information of the Compound
| Compound ID |
CP0392326
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| Compound Name |
methyl 2-[[2-[(Z)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyacetyl]amino]acetate
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| Structure |
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| Formula |
C23H25ClN2O9
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| Molecular Weight |
508.911
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| Canonical SMILES |
COC(=O)CNC(=O)CO\N=C1\Cc2c(Cl)c(O)cc(O)c2C(=O)O[C@H](C)C[C@H]2O[C@@H]2/C=C\C=C\1
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| InChI |
InChI=1S/C23H25ClN2O9/c1-12-7-18-17(35-18)6-4-3-5-13(26-33-11-19(29)25-10-20(30)32-2)8-14-21(23(31)34-12)15(27)9-16(28)22(14)24/h3-6,9,12,17-18,27-28H,7-8,10-11H2,1-2H3,(H,25,29)/b5-3+,6-4-,26-13+/t12-,17-,18-/m1/s1
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| InChIKey |
BIAHWOQIACKPDN-RBBUMYCGSA-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