General Information of the Compound
| Compound ID |
CP0529588
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| Compound Name |
US9447038, 68
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| Structure |
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| Formula |
C27H31ClN2O5
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| Molecular Weight |
499.007
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| Canonical SMILES |
Cc1cc(CN(C(CC(O)=O)c2ccc(Cl)cc2)C2CCC2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C27H31ClN2O5/c1-18-15-19(5-10-24(18)35-14-13-29-25(31)11-12-26(29)32)17-30(22-3-2-4-22)23(16-27(33)34)20-6-8-21(28)9-7-20/h5-10,15,22-23H,2-4,11-14,16-17H2,1H3,(H,33,34)
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| InChIKey |
AJOMCHZZJNMEHT-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