General Information of the Compound
| Compound ID |
CP0576431
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| Compound Name |
US9365511, 18
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
C[C@H](NC(=O)CCc1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1)C(O)=O
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| InChI |
InChI=1S/C25H32N2O3/c1-18-4-3-16-27(18)17-15-21-7-12-23(13-8-21)22-10-5-20(6-11-22)9-14-24(28)26-19(2)25(29)30/h5-8,10-13,18-19H,3-4,9,14-17H2,1-2H3,(H,26,28)(H,29,30)/t18-,19+/m1/s1
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| InChIKey |
ZHYVTSLVFAXKHU-MOPGFXCFSA-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