General Information of the Compound
| Compound ID |
CP0043471
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| Compound Name |
CHEMBL563274
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| Formula |
C22H32ClN3O
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| Molecular Weight |
389.971
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| Canonical SMILES |
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C[C@@]12CC[C@@H](CC1)C2(C)C
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| InChI |
InChI=1S/C22H32ClN3O/c1-21(2)17-7-9-22(21,10-8-17)16-24(3)11-12-25-13-14-26(20(25)27)19-6-4-5-18(23)15-19/h4-6,15,17H,7-14,16H2,1-3H3/t17-,22+
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| InChIKey |
GFQWAFBXHVCNHP-LMTLIKQPSA-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