General Information of the Compound
| Compound ID |
CP0166358
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| Compound Name |
1H-benzo[g]indole-3-carboxylate, 19
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| Structure |
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| Formula |
C24H22ClNO5
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| Molecular Weight |
439.895
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| Canonical SMILES |
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1cc(OC)c(OC)cc21
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| InChI |
InChI=1S/C24H22ClNO5/c1-4-31-24(28)22-17-10-19(27)15-11-20(29-2)21(30-3)12-16(15)23(17)26-18(22)9-13-6-5-7-14(25)8-13/h5-8,10-12,26-27H,4,9H2,1-3H3
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| InChIKey |
CNIYMXQGMPAJOY-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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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