General Information of the Compound
| Compound ID |
CP0516376
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| Compound Name |
US9365511, 33
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| Structure |
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| Formula |
C29H38N2O3
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| Molecular Weight |
462.634
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)C1(CCCC1)C(=O)NCCCC(O)=O
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| InChI |
InChI=1S/C29H38N2O3/c1-22-6-5-20-31(22)21-16-23-8-10-24(11-9-23)25-12-14-26(15-13-25)29(17-2-3-18-29)28(34)30-19-4-7-27(32)33/h8-15,22H,2-7,16-21H2,1H3,(H,30,34)(H,32,33)/t22-/m1/s1
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| InChIKey |
UZMAISKCFMDEAX-JOCHJYFZSA-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