General Information of the Compound
| Compound ID |
CP0525145
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| Compound Name |
CHEMBL3401670
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| Formula |
C26H33N5O2
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| Molecular Weight |
447.583
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| Canonical SMILES |
Nc1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
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| InChI |
InChI=1S/C26H33N5O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16,27H2,(H,29,32)/t17?,18?,19?,24-,26-
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| InChIKey |
BXDQWRAXYQGLGJ-VIZDMAECSA-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