General Information of the Compound
| Compound ID |
CP0419592
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| Compound Name |
US9447038, 8
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| Structure |
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| Formula |
C28H33ClN2O5
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| Molecular Weight |
513.034
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| Canonical SMILES |
CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(c1ccc(Cl)cc1)C1(CC1)C(O)=O
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| InChI |
InChI=1S/C28H33ClN2O5/c1-3-14-30(26(28(12-13-28)27(34)35)21-5-7-22(29)8-6-21)18-20-4-9-23(19(2)17-20)36-16-15-31-24(32)10-11-25(31)33/h4-9,17,26H,3,10-16,18H2,1-2H3,(H,34,35)
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| InChIKey |
RKWMVKVCVPTENM-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