General Information of the Compound
| Compound ID |
CP0077949
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| Compound Name |
6-[2-[3-(1H-indol-4-yloxy)propylamino]ethoxy]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C21H23N3O4
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| Molecular Weight |
381.432
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| Canonical SMILES |
O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1
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| InChI |
InChI=1S/C21H23N3O4/c25-21-14-28-20-6-5-15(13-18(20)24-21)26-12-10-22-8-2-11-27-19-4-1-3-17-16(19)7-9-23-17/h1,3-7,9,13,22-23H,2,8,10-12,14H2,(H,24,25)
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| InChIKey |
YORRFXCSZXGULE-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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