General Information of the Compound
| Compound ID |
CP0311569
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| Compound Name |
2,10-Dihydroxy-6-[(quinolin-3-ylmethyl)amino]-13-(beta-D-glucopyranosyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
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| Structure |
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| Formula |
C36H29N5O10
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| Molecular Weight |
691.653
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| Canonical SMILES |
OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnc6ccccc6c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C36H29N5O10/c42-14-24-31(45)32(46)33(47)36(50-24)51-41-23-11-18(44)6-8-20(23)26-28-27(25-19-7-5-17(43)10-22(19)39-29(25)30(26)41)34(48)40(35(28)49)38-13-15-9-16-3-1-2-4-21(16)37-12-15/h1-12,24,31-33,36,38-39,42-47H,13-14H2/t24-,31-,32+,33-,36+/m1/s1
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| InChIKey |
FPRAZRDYTZXMOW-PFELOJGESA-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
Protein ID: PT03467, DNA topoisomerase 1
Cell Viability or Cytotoxicity Assay