General Information of the Compound
| Compound ID |
CP0104098
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| Compound Name |
CHEMBL563435
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| Formula |
C23H35N3O2
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| Molecular Weight |
385.552
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CCN(C)C[C@@]23CC[C@@H](CC2)C3(C)C)C1=O
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| InChI |
InChI=1S/C23H35N3O2/c1-22(2)18-8-10-23(22,11-9-18)17-24(3)12-13-25-14-15-26(21(25)27)19-6-5-7-20(16-19)28-4/h5-7,16,18H,8-15,17H2,1-4H3/t18-,23+
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| InChIKey |
NCXRDDKPZUSAQF-QRTMHTFLSA-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