General Information of the Compound
| Compound ID |
CP0414127
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| Compound Name |
CHEMBL3394410
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| Formula |
C26H33N5O2
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| Molecular Weight |
447.583
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(Cc4ccccn4)CC1)C(C3)C2
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| InChI |
InChI=1S/C26H33N5O2/c32-25(29-24-19-12-18-13-20(24)16-26(33,14-18)15-19)22-5-3-6-23(28-22)31-10-8-30(9-11-31)17-21-4-1-2-7-27-21/h1-7,18-20,24,33H,8-17H2,(H,29,32)/t18?,19?,20?,24-,26-
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| InChIKey |
HBKMIJCRIUTCJA-YLDWFPEWSA-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