General Information of the Compound
| Compound ID |
CP0554221
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| Compound Name |
1-[(1R,9S,13R,14R)-5,6-dichloro-22-oxa-8,11,21-triazahexacyclo[12.7.1.01,9.02,7.09,13.015,20]docosa-2(7),3,5,15,17,19-hexaen-11-yl]-2-hydroxyethanone
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| Structure |
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| Formula |
C20H17Cl2N3O3
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| Molecular Weight |
418.28
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| Canonical SMILES |
OCC(=O)N1C[C@H]2[C@H]3O[C@]4(Nc5ccccc35)c3ccc(Cl)c(Cl)c3N[C@]24C1
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| InChI |
InChI=1S/C20H17Cl2N3O3/c21-13-6-5-11-17(16(13)22)24-19-9-25(15(27)8-26)7-12(19)18-10-3-1-2-4-14(10)23-20(11,19)28-18/h1-6,12,18,23-24,26H,7-9H2/t12-,18-,19+,20+/m0/s1
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| InChIKey |
YBDJFKIJSVQWGC-KEHCIXGTSA-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