General Information of the Compound
| Compound ID |
CP0521408
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| Compound Name |
CHEMBL4441861
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| Formula |
C21H31NO2
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| Molecular Weight |
329.484
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| Canonical SMILES |
COC1O[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C21H31NO2/c1-23-20-18-9-5-6-10-19(18)21(24-20)13-11-17(12-14-21)22-15-16-7-3-2-4-8-16/h5-6,9-10,16-17,20,22H,2-4,7-8,11-15H2,1H3/t17-,20?,21+
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| InChIKey |
XDSZKZOLLACLGI-WQQJRXGJSA-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