General Information of the Compound
| Compound ID |
CP0576354
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| Compound Name |
(E)-2-cyano-3-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C16H11N5O
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| Molecular Weight |
289.298
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| Canonical SMILES |
NC(=O)C(=C\c1cccc(c1)-c1ncnc2[nH]ccc12)\C#N
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| InChI |
InChI=1S/C16H11N5O/c17-8-12(15(18)22)7-10-2-1-3-11(6-10)14-13-4-5-19-16(13)21-9-20-14/h1-7,9H,(H2,18,22)(H,19,20,21)/b12-7+
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| InChIKey |
PBACTZXZNFJQGT-KPKJPENVSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound