General Information of the Compound
| Compound ID |
CP0563225
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| Compound Name |
US9221790, 6
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| Structure |
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| Formula |
C21H31ClN6O2
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| Molecular Weight |
434.972
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccnn2)CC1
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| InChI |
InChI=1S/C21H31ClN6O2/c1-30-20-14-19(23)18(22)13-17(20)21(29)24-15-16-5-10-27(11-6-16)8-3-2-4-9-28-12-7-25-26-28/h7,12-14,16H,2-6,8-11,15,23H2,1H3,(H,24,29)
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| InChIKey |
XBHOSNAFUQCYOB-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