General Information of the Compound
| Compound ID |
CP0555019
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| Compound Name |
CHEMBL4865079
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| Formula |
C21H25ClN4O
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| Molecular Weight |
384.911
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| Canonical SMILES |
CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cc(nn1)C1CC1
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| InChI |
InChI=1S/C21H25ClN4O/c1-2-18(23-21(27)13-5-7-14(22)8-6-13)20-16-9-15(10-17(16)20)26-11-19(24-25-26)12-3-4-12/h5-8,11-12,15-18,20H,2-4,9-10H2,1H3,(H,23,27)/t15-,16-,17+,18?,20+
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| InChIKey |
KTFQRISFBPLPSJ-UMHCODORSA-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