General Information of the Compound
| Compound ID |
CP0555617
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| Compound Name |
US8993586, 11
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| Structure |
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| Formula |
C21H25ClN6O2
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| Molecular Weight |
428.924
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| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C=NNC4C(Cl)=C3)NC(=O)c12
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| InChI |
InChI=1S/C21H25ClN6O2/c1-12(2)28-18-15(11-24-28)9-21(25-19(18)29)3-5-27(6-4-21)20(30)13-7-14-10-23-26-17(14)16(22)8-13/h7-8,10-12,14,17,26H,3-6,9H2,1-2H3,(H,25,29)
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| InChIKey |
HLLVCECGDHYVOL-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