General Information of the Compound
| Compound ID |
CP0484464
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| Compound Name |
US8846929, 19
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| Structure |
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| Formula |
C29H36N4O
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| Molecular Weight |
456.634
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| Canonical SMILES |
O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C29H36N4O/c34-29-28(32-20-22-10-6-7-11-23(22)21-32)30-26-14-8-9-15-27(26)33(29)25-16-18-31(19-17-25)24-12-4-2-1-3-5-13-24/h6-11,14-15,24-25H,1-5,12-13,16-21H2
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| InChIKey |
WIWDGMPIKFYHHB-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