General Information of the Compound
| Compound ID |
CP0570743
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| Compound Name |
US9163012, 76
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| Structure |
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| Formula |
C24H29ClN4O3
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| Molecular Weight |
456.974
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| Canonical SMILES |
Cc1nc2cccc(Cl)c2n1[C@H]1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O
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| InChI |
InChI=1S/C24H29ClN4O3/c1-13-27-19-4-2-3-18(25)20(19)29(13)17-5-6-28(12-17)23(31)32-21-15-7-14-8-16(21)11-24(9-14,10-15)22(26)30/h2-4,14-17,21H,5-12H2,1H3,(H2,26,30)/t14?,15?,16?,17-,21?,24?/m0/s1
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| InChIKey |
QNXYTBCTRYBYHZ-LWARFMHTSA-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