General Information of the Compound
| Compound ID |
CP0407958
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| Compound Name |
1-[(2S)-4-(cyclopropanecarbonyl)-6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
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| Structure |
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| Formula |
C25H29N3O4S
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| Molecular Weight |
467.591
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| Canonical SMILES |
C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)N1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C25H29N3O4S/c1-17-16-27(25(30)20-3-4-20)24-15-21(7-10-23(24)28(17)18(2)29)19-5-8-22(9-6-19)26-11-13-33(31,32)14-12-26/h5-10,15,17,20H,3-4,11-14,16H2,1-2H3/t17-/m0/s1
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| InChIKey |
BRFIYWZYWCKGBC-KRWDZBQOSA-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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