General Information of the Compound
| Compound ID |
CP0412322
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| Compound Name |
CHEMBL4517031
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| Formula |
C16H23ClN4O2
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| Molecular Weight |
338.839
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| Canonical SMILES |
C[C@H]1CC[C@H](CN2CCN(CC2=O)c2cn[nH]c(=O)c2Cl)CC1
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| InChI |
InChI=1S/C16H23ClN4O2/c1-11-2-4-12(5-3-11)9-21-7-6-20(10-14(21)22)13-8-18-19-16(23)15(13)17/h8,11-12H,2-7,9-10H2,1H3,(H,19,23)/t11-,12-
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| InChIKey |
BTYNLTPVEZQJCU-HAQNSBGRSA-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