General Information of the Compound
| Compound ID |
CP0578883
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| Compound Name |
3-[bis(2-chloroethyl)amino]-N-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]benzamide
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| Structure |
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| Formula |
C22H23BrCl2FN7O3
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| Molecular Weight |
603.28
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| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCNC(=O)c1cccc(c1)N(CCCl)CCCl
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| InChI |
InChI=1S/C22H23BrCl2FN7O3/c23-17-13-15(4-5-18(17)26)29-21(30-35)19-20(32-36-31-19)27-8-9-28-22(34)14-2-1-3-16(12-14)33(10-6-24)11-7-25/h1-5,12-13,35H,6-11H2,(H,27,32)(H,28,34)(H,29,30)
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| InChIKey |
IJROBOBZIHIEMB-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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