General Information of the Compound
| Compound ID |
CP0524849
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| Compound Name |
12,13-[2-carboxy-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 |
C25H17N3O6
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| Molecular Weight |
455.426
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| Canonical SMILES |
O[C@@H]1Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@@]1(O)C(O)=O)c4c23
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| InChI |
InChI=1S/C25H17N3O6/c29-15-9-27-13-7-3-1-5-11(13)16-18-19(23(31)26-22(18)30)17-12-6-2-4-8-14(12)28(21(17)20(16)27)10-25(15,34)24(32)33/h1-8,15,29,34H,9-10H2,(H,32,33)(H,26,30,31)/t15-,25+/m1/s1
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| InChIKey |
HBMVUALJSJNKQX-BZQUYTCOSA-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