General Information of the Compound
| Compound ID |
CP0402553
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| Compound Name |
US9193736, 12
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| Structure |
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| Formula |
C30H28N8O
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| Molecular Weight |
516.609
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| Canonical SMILES |
C1CN(CCN1)c1ccc(cn1)-c1c(nc2c(ccnn12)N1CCOCC1)C#Cc1ccc2ccccc2n1
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| InChI |
InChI=1S/C30H28N8O/c1-2-4-25-22(3-1)5-7-24(34-25)8-9-26-29(23-6-10-28(32-21-23)37-15-13-31-14-16-37)38-30(35-26)27(11-12-33-38)36-17-19-39-20-18-36/h1-7,10-12,21,31H,13-20H2
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| InChIKey |
FMNJHXYIMRMMCL-UHFFFAOYSA-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