General Information of the Compound
| Compound ID |
CP0199011
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| Compound Name |
2,10-Dihydroxy-6-[(4-bromobenzyl)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 |
C33H27BrN4O10
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| Molecular Weight |
719.501
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| Canonical SMILES |
OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(Br)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C33H27BrN4O10/c34-14-3-1-13(2-4-14)11-35-37-31(45)24-22-17-7-5-15(40)9-19(17)36-26(22)27-23(25(24)32(37)46)18-8-6-16(41)10-20(18)38(27)48-33-30(44)29(43)28(42)21(12-39)47-33/h1-10,21,28-30,33,35-36,39-44H,11-12H2/t21-,28-,29+,30-,33+/m1/s1
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| InChIKey |
MCESCZGPCRHNSV-OJSVXGLKSA-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