General Information of the Compound
| Compound ID |
CP0517483
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| Compound Name |
CHEMBL2031151
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| Formula |
C24H37N3O4
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| Molecular Weight |
431.577
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| Canonical SMILES |
CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C24H37N3O4/c1-6-7-19(27-15(2)28)21(30)14-25-20-12-24(10-17(29)11-24)31-22-18(20)8-16(13-26-22)9-23(3,4)5/h6,8,13,17,19-21,25,29-30H,1,7,9-12,14H2,2-5H3,(H,27,28)/t17-,19-,20-,21+,24+/m0/s1
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| InChIKey |
VZTLFHHYQQNUSZ-CCCKFAPSSA-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