General Information of the Compound
| Compound ID |
CP0920032
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| Compound Name |
SID87341394
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| Structure |
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| Formula |
C42H54N4O5
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| Molecular Weight |
694.917
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| Canonical SMILES |
CCCCCCN(C(=O)CCCN1C(=O)NC(c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)C(C)C(=O)NCCCC
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| InChI |
InChI=1S/C42H54N4O5/c1-5-7-9-16-28-45(32(4)40(48)43-27-8-6-2)37(47)22-17-29-46-31(3)38(41(49)51-30-33-18-12-10-13-19-33)39(44-42(46)50)36-25-23-35(24-26-36)34-20-14-11-15-21-34/h10-15,18-21,23-26,32,39H,5-9,16-17,22,27-30H2,1-4H3,(H,43,48)(H,44,50)
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| InChIKey |
RQOAPFJDNPVJKD-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