General Information of the Compound
| Compound ID |
CP0001836
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| Compound Name |
CHEMBL1947206
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
Oc1cccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C22H25NO3/c24-20-8-4-5-16(13-20)11-12-23-18-9-10-19(23)15-21(14-18)26-22(25)17-6-2-1-3-7-17/h1-8,13,18-19,21,24H,9-12,14-15H2/t18-,19+,21+
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| InChIKey |
NNGQTBXHBXQGOX-KXTWHKPSSA-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