General Information of the Compound
| Compound ID |
CP0416867
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| Compound Name |
CHEMBL2087325
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| Formula |
C26H36N4O4
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| Molecular Weight |
468.598
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN(C)C(C)=O)c1=O
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| InChI |
InChI=1S/C26H36N4O4/c1-16(2)30-24-8-6-5-7-18(24)11-23(26(30)34)25(33)27-19-12-20-9-10-21(13-19)29(20)15-22(32)14-28(4)17(3)31/h5-8,11,16,19-22,32H,9-10,12-15H2,1-4H3,(H,27,33)/t19-,20+,21-,22?
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| InChIKey |
NQPGXETXUWTMSR-PVTQMLBVSA-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