General Information of the Compound
| Compound ID |
CP0424381
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| Compound Name |
CHEMBL487828
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| Formula |
C29H38N4O3
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| Molecular Weight |
490.648
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| Canonical SMILES |
Cn1c(nc2ccccc12)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)[C@H]1CC[C@@H](CC1)C(C)(C)C
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| InChI |
InChI=1S/C29H38N4O3/c1-29(2,3)22-13-15-23(16-14-22)33(28-31-24-7-5-6-8-25(24)32(28)4)19-20-9-11-21(12-10-20)27(36)30-18-17-26(34)35/h5-12,22-23H,13-19H2,1-4H3,(H,30,36)(H,34,35)/t22-,23-
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| InChIKey |
SLZWCLUQRBEOSO-YHBQERECSA-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