General Information of the Compound
| Compound ID |
CP0067652
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| Compound Name |
1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C26H21F3N6O
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| Molecular Weight |
490.489
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| Canonical SMILES |
CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1)-c1ccnc2[nH]ccc12
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| InChI |
InChI=1S/C26H21F3N6O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36)
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| InChIKey |
XMVDDSSINBJQNA-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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