General Information of the Compound
| Compound ID |
CP0516350
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| Compound Name |
US9469631, 54
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C27H31N3O3/c1-27(2,3)33-26(32)29-16-14-24(15-17-29)30(23-12-13-23)25(31)22-10-8-21(9-11-22)20-6-4-19(18-28)5-7-20/h4-11,23-24H,12-17H2,1-3H3
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| InChIKey |
KAOPLAIKJMWDKV-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