General Information of the Compound
| Compound ID |
CP0432392
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| Compound Name |
CHEMBL509900
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| Formula |
C27H34N8O
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| Molecular Weight |
486.624
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| Canonical SMILES |
Cc1ccc2nc([nH]c2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C
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| InChI |
InChI=1S/C27H34N8O/c1-17-5-14-22-23(15-17)29-26(28-22)35(21-12-10-20(11-13-21)27(2,3)4)16-18-6-8-19(9-7-18)24(36)30-25-31-33-34-32-25/h5-9,14-15,20-21H,10-13,16H2,1-4H3,(H,28,29)(H2,30,31,32,33,34,36)/t20-,21-
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| InChIKey |
SSNQSYVBMRUEPL-MEMLXQNLSA-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