General Information of the Compound
| Compound ID |
CP0092152
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| Compound Name |
2,10-Dihydroxy-6-[(4-cyanobenzyl)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 |
C34H27N5O10
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| Molecular Weight |
665.615
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| Canonical SMILES |
OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(cc5)C#N)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C34H27N5O10/c35-11-14-1-3-15(4-2-14)12-36-38-32(46)25-23-18-7-5-16(41)9-20(18)37-27(23)28-24(26(25)33(38)47)19-8-6-17(42)10-21(19)39(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34,36-37,40-45H,12-13H2/t22-,29-,30+,31-,34+/m1/s1
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| InChIKey |
XMXWXFBCRWKXLQ-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