General Information of the Compound
| Compound ID |
CP0461962
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| Compound Name |
US8835444, 4.6
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| Formula |
C21H29ClN4O
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| Molecular Weight |
388.943
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| Canonical SMILES |
CC(C)c1cc(C)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C
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| InChI |
InChI=1S/C21H29ClN4O/c1-13(2)20-9-14(3)25-26(20)12-16-5-7-18(8-6-16)24-21(27)19-10-17(22)11-23-15(19)4/h9-11,13,16,18H,5-8,12H2,1-4H3,(H,24,27)/t16-,18-
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| InChIKey |
VFTPTHOIZIMBGU-SAABIXHNSA-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