General Information of the Compound
| Compound ID |
CP0565636
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| Compound Name |
US8993586, 96
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| Structure |
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| Formula |
C22H25ClN6O2
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| Molecular Weight |
440.935
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| Canonical SMILES |
CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cnc4[nH]cc(Cl)c4c3)NC(=O)c2n1
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| InChI |
InChI=1S/C22H25ClN6O2/c1-21(2,3)29-12-14-9-22(26-19(30)17(14)27-29)4-6-28(7-5-22)20(31)13-8-15-16(23)11-25-18(15)24-10-13/h8,10-12H,4-7,9H2,1-3H3,(H,24,25)(H,26,30)
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| InChIKey |
NIHQIXFAOVUTLZ-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