General Information of the Compound
| Compound ID |
CP0521407
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| Compound Name |
CHEMBL4454365
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| Formula |
C22H31NO
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| Molecular Weight |
325.496
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| Canonical SMILES |
CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OC=Cc1ccccc21
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| InChI |
InChI=1S/C22H31NO/c1-23(17-18-7-3-2-4-8-18)20-11-14-22(15-12-20)21-10-6-5-9-19(21)13-16-24-22/h5-6,9-10,13,16,18,20H,2-4,7-8,11-12,14-15,17H2,1H3/t20-,22+
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| InChIKey |
DFGZNCBJYISTLB-GRGXKFILSA-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