General Information of the Compound
| Compound ID |
CP0129551
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| Compound Name |
20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
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| Structure |
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| Formula |
C30H32N4O5
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| Molecular Weight |
528.609
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| Canonical SMILES |
OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21
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| InChI |
InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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| InChIKey |
YZCCPMVBDYCXOW-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