General Information of the Compound
| Compound ID |
CP0163676
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| Compound Name |
CHEMBL105618
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| Formula |
C35H41N3O4
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| Molecular Weight |
567.73
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| Canonical SMILES |
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C35H41N3O4/c1-35(20-28-21-36-30-10-6-5-9-29(28)30,37-34(41)42-32-26-16-22-15-23(18-26)19-27(32)17-22)33(40)38-13-11-25(12-14-38)31(39)24-7-3-2-4-8-24/h2-10,21-23,25-27,32,36H,11-20H2,1H3,(H,37,41)/t22-,23+,26-,27+,32?,35?
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| InChIKey |
QWONBAWOJJGJQN-JYQBMIDVSA-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