General Information of the Compound
| Compound ID |
CP0443019
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| Compound Name |
US9447038, 7
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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(C(CC(O)=O)c2ccc(Cl)cc2)C2CCC2)ccc1OCCn1c(=O)ccn(C)c1=O
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| InChI |
InChI=1S/C28H32ClN3O5/c1-19-16-20(6-11-25(19)37-15-14-31-26(33)12-13-30(2)28(31)36)18-32(23-4-3-5-23)24(17-27(34)35)21-7-9-22(29)10-8-21/h6-13,16,23-24H,3-5,14-15,17-18H2,1-2H3,(H,34,35)
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| InChIKey |
ZNFCDOWCJQHQST-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