General Information of the Compound
| Compound ID |
CP0458589
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| Compound Name |
3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-5-nitrophenol
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| Structure |
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| Formula |
C19H15N5O5
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| Molecular Weight |
393.359
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| Canonical SMILES |
Oc1cc(cc(c1)[N+]([O-])=O)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
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| InChI |
InChI=1S/C19H15N5O5/c25-13-9-11(8-12(10-13)24(26)27)17-21-15-14-2-1-3-20-19(14)29-16(15)18(22-17)23-4-6-28-7-5-23/h1-3,8-10,25H,4-7H2
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| InChIKey |
CYVYPUOITMMPIN-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