General Information of the Compound
| Compound ID |
CP0025838
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| Compound Name |
INDIRUBIN 2
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| Formula |
C16H10BrN3O2
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| Molecular Weight |
356.179
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| Canonical SMILES |
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(Br)cc12
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| InChI |
InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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| InChIKey |
TYNCGTPANDPODX-WAVHTBQISA-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