General Information of the Compound
| Compound ID |
CP0417096
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| Compound Name |
methyl (E)-3-[3-(3-chloroquinoxalin-2-yl)-1H-indol-2-yl]prop-2-enoate
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| Structure |
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| Formula |
C20H14ClN3O2
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| Molecular Weight |
363.804
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| Canonical SMILES |
COC(=O)\C=C\c1[nH]c2ccccc2c1-c1nc2ccccc2nc1Cl
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| InChI |
InChI=1S/C20H14ClN3O2/c1-26-17(25)11-10-16-18(12-6-2-3-7-13(12)22-16)19-20(21)24-15-9-5-4-8-14(15)23-19/h2-11,22H,1H3/b11-10+
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| InChIKey |
BUFDEYKSUQNJCV-ZHACJKMWSA-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