General Information of the Compound
| Compound ID |
CP0456755
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| Compound Name |
US8835444, 2.3
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| Formula |
C21H27ClN4O
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| Molecular Weight |
386.927
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| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2cc3CCCCc3n2)CC1
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| InChI |
InChI=1S/C21H27ClN4O/c1-14-19(10-17(22)11-23-14)21(27)24-18-8-6-15(7-9-18)12-26-13-16-4-2-3-5-20(16)25-26/h10-11,13,15,18H,2-9,12H2,1H3,(H,24,27)/t15-,18-
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| InChIKey |
LTMGOEAKUDIGQE-RZDIXWSQSA-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