General Information of the Compound
| Compound ID |
CP0264635
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| Compound Name |
2,10-Dihydroxy-6-[(pyrazin-2-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 |
C31H26N6O10
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| Molecular Weight |
642.581
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| Canonical SMILES |
OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C31H26N6O10/c38-11-19-26(41)27(42)28(43)31(46-19)47-37-18-8-14(40)2-4-16(18)21-23-22(20-15-3-1-13(39)7-17(15)35-24(20)25(21)37)29(44)36(30(23)45)34-10-12-9-32-5-6-33-12/h1-9,19,26-28,31,34-35,38-43H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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| InChIKey |
ZKTWDOVLQKYFQC-ZYOMLLCTSA-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