General Information of the Compound
| Compound ID |
CP0535369
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| Compound Name |
methyl (E)-3-[3-(3-chloroquinoxalin-2-yl)-5-methoxy-1-propan-2-ylindol-2-yl]prop-2-enoate
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| Structure |
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| Formula |
C24H22ClN3O3
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| Molecular Weight |
435.911
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| Canonical SMILES |
COC(=O)\C=C\c1c(-c2nc3ccccc3nc2Cl)c2cc(OC)ccc2n1C(C)C
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| InChI |
InChI=1S/C24H22ClN3O3/c1-14(2)28-19-10-9-15(30-3)13-16(19)22(20(28)11-12-21(29)31-4)23-24(25)27-18-8-6-5-7-17(18)26-23/h5-14H,1-4H3/b12-11+
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| InChIKey |
VPYBSTWBKCOLBY-VAWYXSNFSA-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