General Information of the Compound
| Compound ID |
CP0577408
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| Compound Name |
CHEMBL5074982
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| Formula |
C23H28N2O3
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| Molecular Weight |
380.488
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| Canonical SMILES |
CC1(CC1)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2
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| InChI |
InChI=1S/C23H28N2O3/c1-21(5-6-21)16-3-2-4-17(9-16)23-7-8-25(13-18(23)12-23)19(26)15-10-22(11-15)14-28-20(27)24-22/h2-4,9,15,18H,5-8,10-14H2,1H3,(H,24,27)/t15-,18?,22+,23?
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| InChIKey |
RCONYWFGXWHFGE-QGHRMTQGSA-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