General Information of the Compound
| Compound ID |
CP0520570
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| Compound Name |
US8802672, 6
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| Structure |
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| Formula |
C20H32Cl2N6O
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| Molecular Weight |
443.423
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| Canonical SMILES |
CCNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1
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| InChI |
InChI=1S/C20H32Cl2N6O/c1-3-23-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-6-16(7-5-15)24-14(2)29/h15-16H,3-13H2,1-2H3,(H,24,29)(H,23,25,26)
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| InChIKey |
NTEASVXKHYIMOF-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