General Information of the Compound
| Compound ID |
CP0579551
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| Compound Name |
N-(1-phenylethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
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| Structure |
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| Formula |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
CC(NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1
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| InChI |
InChI=1S/C25H25N5O3/c1-17(18-5-3-2-4-6-18)28-25(31)20-8-7-19-15-22(20)33-14-13-32-12-10-26-23-9-11-30-24(29-23)21(19)16-27-30/h2-9,11,15-17H,10,12-14H2,1H3,(H,26,29)(H,28,31)
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| InChIKey |
NNYPDLBHTFUSIR-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