General Information of the Compound
| Compound ID |
CP0547727
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| Compound Name |
CHEMBL5090735
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
Cc1cc(ccc1C12CC1CN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2)C1CC1
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| InChI |
InChI=1S/C22H26N2O3/c1-13-6-15(14-2-3-14)4-5-18(13)22-9-17(22)10-24(11-22)19(25)16-7-21(8-16)12-27-20(26)23-21/h4-6,14,16-17H,2-3,7-12H2,1H3,(H,23,26)/t16-,17?,21+,22?
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| InChIKey |
CFOOPFANNKTCHK-DGUYDKLCSA-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