General Information of the Compound
| Compound ID |
CP0487704
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| Compound Name |
1-[6-(2-aminopyridin-4-yl)-5-oxopyrido[2,3-b][1,5]benzoxazepin-9-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
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| Formula |
C25H16ClF3N6O3
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| Molecular Weight |
540.889
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| Canonical SMILES |
Nc1cc(ccn1)N1c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2Oc2ncccc2C1=O
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| InChI |
InChI=1S/C25H16ClF3N6O3/c26-18-5-3-13(10-17(18)25(27,28)29)33-24(37)34-14-4-6-19-20(11-14)38-22-16(2-1-8-32-22)23(36)35(19)15-7-9-31-21(30)12-15/h1-12H,(H2,30,31)(H2,33,34,37)
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| InChIKey |
VQVRSCPORIUCDA-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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