General Information of the Compound
| Compound ID |
CP0529503
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| Compound Name |
US9163012, 26
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| Formula |
C20H25ClN4O3
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| Molecular Weight |
404.898
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2
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| InChI |
InChI=1S/C20H25ClN4O3/c21-15-8-23-17(24-9-15)12-1-2-25(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(22)26/h8-9,11-14,16H,1-7,10H2,(H2,22,26)/t11?,12?,13?,14?,16-,20-
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| InChIKey |
DJVOJGHZDVCWOV-UXFPAFRNSA-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