General Information of the Compound
| Compound ID |
CP0355441
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| Compound Name |
1-[4-[[7-[2-(dimethylamino)ethylamino]-4-hydroxy-4H-quinazolin-3-yl]methyl]-4-hydroxypiperidin-1-yl]-3-phenylbutan-1-one
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| Formula |
C28H39N5O3
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| Molecular Weight |
493.652
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| Canonical SMILES |
CC(CC(=O)N1CCC(O)(CN2C=Nc3cc(NCCN(C)C)ccc3C2O)CC1)c1ccccc1
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| InChI |
InChI=1S/C28H39N5O3/c1-21(22-7-5-4-6-8-22)17-26(34)32-14-11-28(36,12-15-32)19-33-20-30-25-18-23(29-13-16-31(2)3)9-10-24(25)27(33)35/h4-10,18,20-21,27,29,35-36H,11-17,19H2,1-3H3
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| InChIKey |
KCBJFOOQXOWGFE-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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