General Information of the Compound
| Compound ID |
CP0537652
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| Compound Name |
CHEMBL3361216
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| Formula |
C27H32N6O2
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| Molecular Weight |
472.593
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1
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| InChI |
InChI=1S/C27H32N6O2/c1-18(34)31-23-13-11-21(12-14-23)24-15-25(29-16-19-5-3-2-4-6-19)33-27(32-24)30-17-20-7-9-22(10-8-20)26(28)35/h2-6,11-15,20,22H,7-10,16-17H2,1H3,(H2,28,35)(H,31,34)(H2,29,30,32,33)/t20-,22-
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| InChIKey |
QYDMQKBOHABCOZ-AQYVVDRMSA-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