General Information of the Compound
| Compound ID |
CP0569539
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| Compound Name |
US9150519, 1-100
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| Structure |
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| Formula |
C22H29N5O3
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| Molecular Weight |
411.506
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| Canonical SMILES |
CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(CNCC(O)=O)cc1C
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| InChI |
InChI=1S/C22H29N5O3/c1-3-8-27(13-16-4-5-16)20-10-19(24-14-25-20)22(30)26-18-7-6-17(9-15(18)2)11-23-12-21(28)29/h6-7,9-10,14,16,23H,3-5,8,11-13H2,1-2H3,(H,26,30)(H,28,29)
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| InChIKey |
XXYNEZWTIVJUGG-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