General Information of the Compound
| Compound ID |
CP0178973
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| Compound Name |
2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H24N4O4
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| Molecular Weight |
456.502
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| Canonical SMILES |
NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1C[C@@H]2C[C@H]1CN2C(=O)C=C
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| InChI |
InChI=1S/C26H24N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h2-13,17-18H,1,14-16H2,(H2,27,32)/t17-,18-/m0/s1
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| InChIKey |
FVEYIFISRORTDD-ROUUACIJSA-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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