General Information of the Compound
| Compound ID |
CP0561399
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| Compound Name |
US9221790, 4
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| Structure |
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| Formula |
C21H30ClN5O2
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| Molecular Weight |
419.957
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnc2C)CC1
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| InChI |
InChI=1S/C21H30ClN5O2/c1-15-24-6-11-27(15)8-3-7-26-9-4-16(5-10-26)14-25-21(28)17-12-18(22)19(23)13-20(17)29-2/h6,11-13,16H,3-5,7-10,14,23H2,1-2H3,(H,25,28)
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| InChIKey |
UADHNYVTEMZKEG-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