General Information of the Compound
| Compound ID |
CP0426897
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| Compound Name |
22-bromo-16-(hydroxymethyl)-10-(morpholin-4-ylmethyl)-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 |
C29H27BrN4O3
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| Molecular Weight |
559.464
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| Canonical SMILES |
OCC1Cn2c3ccc(CN4CCOCC4)cc3c3c4CNC(=O)c4c4c5cc(Br)ccc5n(C1)c4c23
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| InChI |
InChI=1S/C29H27BrN4O3/c30-18-2-4-23-20(10-18)25-26-21(11-31-29(26)36)24-19-9-16(12-32-5-7-37-8-6-32)1-3-22(19)33-13-17(15-35)14-34(23)28(25)27(24)33/h1-4,9-10,17,35H,5-8,11-15H2,(H,31,36)
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| InChIKey |
OWDLMJGOBWCKME-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