General Information of the Compound
| Compound ID |
CP0569151
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| Compound Name |
CHEMBL5173549
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| Formula |
C33H43N5O4
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| Molecular Weight |
573.738
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| Canonical SMILES |
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)[C@H]1C[C@@](C)(O)C1
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| InChI |
InChI=1S/C33H43N5O4/c1-6-41-29-34-19-24(20-35-29)22-8-7-9-25(16-22)38(26(39)23-17-31(5,40)18-23)21-32-10-13-33(14-11-32,15-12-32)27-36-28(42-37-27)30(2,3)4/h7-9,16,19-20,23,40H,6,10-15,17-18,21H2,1-5H3/t23-,31+,32?,33?
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| InChIKey |
VCCXEPWMFOKGSQ-BVLBHDCQSA-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