General Information of the Compound
| Compound ID |
CP0372594
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| Compound Name |
Naphthoic acid-based analog, 1e
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| Structure |
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| Formula |
C30H23Cl2NO4
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| Molecular Weight |
532.423
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cccc(C(O)=O)c2c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-13-11-18(12-14-21)20-10-9-19-5-3-6-22(30(34)35)23(19)15-20/h3-15,17H,16H2,1-2H3,(H,34,35)
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| InChIKey |
KVNUJCGFGCPUOA-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