General Information of the Compound
| Compound ID |
CP0266743
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| Compound Name |
12,13-[2-carboxymethyl-cis-2,3-dihydroxy)-1,4-butyl]-6,7,12,13-tetrahyhydro-5,7-dioxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
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| Structure |
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| Formula |
C26H19N3O6
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| Molecular Weight |
469.453
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| Canonical SMILES |
COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23
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| InChI |
InChI=1S/C26H19N3O6/c1-35-25(33)26(34)11-29-15-9-5-3-7-13(15)18-20-19(23(31)27-24(20)32)17-12-6-2-4-8-14(12)28(10-16(26)30)21(17)22(18)29/h2-9,16,30,34H,10-11H2,1H3,(H,27,31,32)/t16-,26+/m1/s1
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| InChIKey |
DMECWJSRBVZTGX-DXPJPUQTSA-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