General Information of the Compound
| Compound ID |
CP0562578
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| Compound Name |
N-[[2-fluoro-4-[5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C28H24FN5O2
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| Molecular Weight |
481.531
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| Canonical SMILES |
Fc1cc(ccc1CNC(=O)c1ccccc1)-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12
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| InChI |
InChI=1S/C28H24FN5O2/c1-2-24(35)34-12-10-18(11-13-34)22-16-30-27-25(22)26(32-17-33-27)20-8-9-21(23(29)14-20)15-31-28(36)19-6-4-3-5-7-19/h2-10,14,16-17H,1,11-13,15H2,(H,31,36)(H,30,32,33)
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| InChIKey |
MLZFQUIEECNEMP-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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