General Information of the Compound
| Compound ID |
CP0458549
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| Compound Name |
US9469631, 70
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccncc1
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| InChI |
InChI=1S/C25H31N3O3/c1-25(2,3)31-24(30)27-16-12-22(13-17-27)28(21-8-9-21)23(29)20-6-4-18(5-7-20)19-10-14-26-15-11-19/h4-7,10-11,14-15,21-22H,8-9,12-13,16-17H2,1-3H3
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| InChIKey |
XGJJVBLVZGMGHC-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