General Information of the Compound
| Compound ID |
CP0470325
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| Compound Name |
US8614213, 18
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| Formula |
C20H27ClN4O
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| Molecular Weight |
374.916
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| Canonical SMILES |
Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c(C)c1C
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| InChI |
InChI=1S/C20H27ClN4O/c1-12-13(2)24-25(15(12)4)11-16-5-7-18(8-6-16)23-20(26)19-9-17(21)10-22-14(19)3/h9-10,16,18H,5-8,11H2,1-4H3,(H,23,26)/t16-,18-
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| InChIKey |
GSQGCFTWOSTTHY-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