General Information of the Compound
| Compound ID |
CP0506721
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| Compound Name |
US9216182, 1.29
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| Structure |
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| Formula |
C21H30N4O4
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| Molecular Weight |
402.495
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| Canonical SMILES |
COC(=O)c1ccnc(c1)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C21H30N4O4/c1-28-20(26)16-5-8-22-19(15-16)24-9-6-18(7-10-24)29-21(27)25-13-11-23(12-14-25)17-3-2-4-17/h5,8,15,17-18H,2-4,6-7,9-14H2,1H3
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| InChIKey |
YIOSLGMJVHUKHM-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