General Information of the Compound
| Compound ID |
CP0497464
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| Compound Name |
Hymenialdisine 2
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| Structure |
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| Formula |
C15H14BrN5O4
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| Molecular Weight |
408.212
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| Canonical SMILES |
CC(=O)NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2c1cc(Br)n2C(C)=O
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| InChI |
InChI=1S/C15H14BrN5O4/c1-6(22)18-15-19-11(13(24)20-15)8-3-4-17-14(25)12-9(8)5-10(16)21(12)7(2)23/h5H,3-4H2,1-2H3,(H,17,25)(H2,18,19,20,22,24)/b11-8-
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| InChIKey |
VAMZZBTXBZOVSP-FLIBITNWSA-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