General Information of the Compound
| Compound ID |
CP0526688
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| Compound Name |
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]oxy-N-[4-(diethylamino)phenyl]acetamide
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| Structure |
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| Formula |
C30H34ClN3O7
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| Molecular Weight |
584.069
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)CO\N=C2\Cc3c(Cl)c(O)cc(O)c3C(=O)O[C@H](C)C[C@H]3O[C@@H]3/C=C\C=C\2)cc1
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| InChI |
InChI=1S/C30H34ClN3O7/c1-4-34(5-2)21-12-10-19(11-13-21)32-27(37)17-39-33-20-8-6-7-9-25-26(41-25)14-18(3)40-30(38)28-22(15-20)29(31)24(36)16-23(28)35/h6-13,16,18,25-26,35-36H,4-5,14-15,17H2,1-3H3,(H,32,37)/b8-6+,9-7-,33-20+/t18-,25-,26-/m1/s1
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| InChIKey |
YNDANYSKUQCMHH-WCMCAFRMSA-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