General Information of the Compound
| Compound ID |
CP0465681
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| Compound Name |
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropan-1-one
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| Structure |
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| Formula |
C24H21N3O2S
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| Molecular Weight |
415.518
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| Canonical SMILES |
C[C@H](Sc1nc(nc2ccccc12)-c1ccco1)C(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H21N3O2S/c1-16(24(28)27-13-12-17-7-2-3-8-18(17)15-27)30-23-19-9-4-5-10-20(19)25-22(26-23)21-11-6-14-29-21/h2-11,14,16H,12-13,15H2,1H3/t16-/m0/s1
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| InChIKey |
DWWHXUHKCLEEMX-INIZCTEOSA-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