General Information of the Compound
| Compound ID |
CP0525684
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| Compound Name |
US9447038, 114
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| Structure |
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| Formula |
C28H32ClN3O5
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| Molecular Weight |
526.033
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| Canonical SMILES |
Cc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
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| InChI |
InChI=1S/C28H32ClN3O5/c1-19-15-21(5-10-25(19)37-14-13-32-26(33)11-12-30(2)28(32)36)18-31(17-20-3-4-20)24(16-27(34)35)22-6-8-23(29)9-7-22/h5-12,15,20,24H,3-4,13-14,16-18H2,1-2H3,(H,34,35)
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| InChIKey |
JXPUMVOZGFZTNE-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