General Information of the Compound
| Compound ID |
CP0137641
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-oxo-6-pyridin-4-ylpyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
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| Structure |
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| Formula |
C25H15ClF3N5O3
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| Molecular Weight |
525.874
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2ccc3N(c4ccncc4)C(=O)c4cccnc4Oc3c2)ccc1Cl
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| InChI |
InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36)
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| InChIKey |
NQHGDUGVQSAKOR-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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