General Information of the Compound
| Compound ID |
CP0541553
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| Compound Name |
22-bromo-16-(hydroxymethyl)-10-[(propan-2-yloxy)methyl]-4,14,18-triazaheptacyclo[12.10.2.0^{2,6}.0^{7,26}.0^{8,13}.0^{18,25}.0^{19,24}]hexacosa-1(25),2(6),7(26),8,10,12,19(24),20,22-nonaen-3-one
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| Structure |
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| Formula |
C28H26BrN3O3
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| Molecular Weight |
532.438
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| Canonical SMILES |
CC(C)OCc1ccc2n3CC(CO)Cn4c5ccc(Br)cc5c5c6C(=O)NCc6c(c2c1)c3c45
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| InChI |
InChI=1S/C28H26BrN3O3/c1-14(2)35-13-15-3-5-21-18(7-15)23-20-9-30-28(34)25(20)24-19-8-17(29)4-6-22(19)32-11-16(12-33)10-31(21)26(23)27(24)32/h3-8,14,16,33H,9-13H2,1-2H3,(H,30,34)
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| InChIKey |
ZMGWQVOSGNDWNU-UHFFFAOYSA-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