General Information of the Compound
| Compound ID |
CP0198242
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| Compound Name |
[4-(6-hydroxy-1,14,16,22-tetrazatricyclo[13.5.2.018,21]docosa-15,17,19,21-tetraen-19-yl)phenyl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C29H39N5O3
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| Molecular Weight |
505.663
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| Canonical SMILES |
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C29H39N5O3/c35-24-8-4-2-1-3-6-14-30-29-31-20-25-26(21-34(27(25)32-29)15-7-5-9-24)22-10-12-23(13-11-22)28(36)33-16-18-37-19-17-33/h10-13,20-21,24,35H,1-9,14-19H2,(H,30,31,32)
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| InChIKey |
RADSRRYRWZKEEW-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