General Information of the Compound
| Compound ID |
CP0560876
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| Compound Name |
US9315518, 17-20
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| Structure |
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| Formula |
C23H32N4O3
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| Molecular Weight |
412.534
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| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CCC(CC1)NC(=O)C1CCCO1
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| InChI |
InChI=1S/C23H32N4O3/c1-23(2,3)14-27-18-12-11-17(25-20(18)26(4)22(27)29)15-7-9-16(10-8-15)24-21(28)19-6-5-13-30-19/h7,11-12,16,19H,5-6,8-10,13-14H2,1-4H3,(H,24,28)
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| InChIKey |
FXSLIYBWDYTXJB-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