General Information of the Compound
| Compound ID |
CP0333359
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| Compound Name |
2,10-Dihydroxy-6-[(4-methylbenzyl)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 |
C34H30N4O10
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| Molecular Weight |
654.632
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| Canonical SMILES |
Cc1ccc(CNN2C(=O)c3c(C2=O)c2c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2c2[nH]c4cc(O)ccc4c32)cc1
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| InChI |
InChI=1S/C34H30N4O10/c1-14-2-4-15(5-3-14)12-35-37-32(45)25-23-18-8-6-16(40)10-20(18)36-27(23)28-24(26(25)33(37)46)19-9-7-17(41)11-21(19)38(28)48-34-31(44)30(43)29(42)22(13-39)47-34/h2-11,22,29-31,34-36,39-44H,12-13H2,1H3/t22-,29-,30+,31-,34+/m1/s1
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| InChIKey |
BKTZMKDFILCMTJ-IWCRPMNOSA-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