General Information of the Compound
| Compound ID |
CP0665404
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| Compound Name |
SID14727518
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| Structure |
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| Formula |
C18H19ClN2O4
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| Molecular Weight |
362.813
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| Canonical SMILES |
COC1(OC)C(/C=C/c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC
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| InChI |
InChI=1S/C18H19ClN2O4/c1-22-17(23-2)15(10-7-13-5-8-14(19)9-6-13)16(11-20,12-21)18(17,24-3)25-4/h5-10,15H,1-4H3/b10-7+
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| InChIKey |
WTXBTYXCVPLYNX-JXMROGBWSA-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
Protein ID: PT06109, Geminin
Protein ID: PT01214, Tyrosine-protein kinase JAK2