General Information of the Compound
| Compound ID |
CP0576027
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| Compound Name |
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-heptaen-5-yl(morpholin-4-yl)methanone
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| Structure |
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| Formula |
C21H23N5O4
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| Molecular Weight |
409.446
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| Canonical SMILES |
O=C(N1CCOCC1)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
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| InChI |
InChI=1S/C21H23N5O4/c27-21(25-6-9-29-10-7-25)16-2-1-15-13-18(16)30-12-11-28-8-4-22-19-3-5-26-20(24-19)17(15)14-23-26/h1-3,5,13-14H,4,6-12H2,(H,22,24)
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| InChIKey |
VMDLEIRNABEYJQ-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