General Information of the Compound
| Compound ID |
CP0471245
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| Compound Name |
4-[3-[4-[1-[(2-bromophenyl)methyl]-2-phenylindol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
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| Formula |
C37H35BrN4O3
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| Molecular Weight |
663.616
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| Canonical SMILES |
COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C37H35BrN4O3/c1-43-33-23-31-29(22-34(33)45-19-9-16-41-17-20-44-21-18-41)36(40-25-39-31)35-28-13-6-8-15-32(28)42(24-27-12-5-7-14-30(27)38)37(35)26-10-3-2-4-11-26/h2-8,10-15,22-23,25H,9,16-21,24H2,1H3
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| InChIKey |
WSOJDUFWINGDJI-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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