General Information of the Compound
| Compound ID |
CP0576977
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| Compound Name |
CHEMBL5171964
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| Formula |
C31H45N3O3
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| Molecular Weight |
507.719
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cccc(CC(C)(C)O)c2)CCN1
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| InChI |
InChI=1S/C31H45N3O3/c1-22-17-27(12-9-26(22)21-34-16-15-32-23(2)20-34)33(5)30(35)25-10-13-28(14-11-25)37-29-8-6-7-24(18-29)19-31(3,4)36/h6-9,12,17-18,23,25,28,32,36H,10-11,13-16,19-21H2,1-5H3/t23-,25-,28-/m0/s1
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| InChIKey |
WJSQLBBIUNNJAB-AGJHTDJMSA-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