General Information of the Compound
| Compound ID |
CP0903926
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| Compound Name |
(4E,4'E)-4,4'-bis(pentan-3-ylimino)-4',4'a-dihydro-2,2'-binaphthyl-1,1'(4H,8'aH)-dione
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| Formula |
C30H32N2O2
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| Molecular Weight |
452.598
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| Canonical SMILES |
CCC(CC)/N=C1/C=C(C2=C/C(=N\C(CC)CC)c3ccccc3C2=O)C(=O)c2ccccc21
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| InChI |
InChI=1S/C30H32N2O2/c1-5-19(6-2)31-27-17-25(29(33)23-15-11-9-13-21(23)27)26-18-28(32-20(7-3)8-4)22-14-10-12-16-24(22)30(26)34/h9-20H,5-8H2,1-4H3/b31-27-,32-28+
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| InChIKey |
VYVTUQINAVFHJC-GYNJYFOTSA-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