General Information of the Compound
| Compound ID |
CP0579594
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| Compound Name |
CHEMBL5203126
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| Formula |
C29H41N3O3
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| Molecular Weight |
479.665
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2C)CCN1
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| InChI |
InChI=1S/C29H41N3O3/c1-20-5-6-23(19-33)16-28(20)35-27-11-8-24(9-12-27)29(34)31(4)26-10-7-25(21(2)15-26)18-32-14-13-30-22(3)17-32/h5-7,10,15-16,22,24,27,30,33H,8-9,11-14,17-19H2,1-4H3/t22-,24-,27-/m0/s1
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| InChIKey |
HOYGTZVNGBHQOX-DPPGTGKWSA-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