General Information of the Compound
| Compound ID |
CP0500404
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| Compound Name |
CHEMBL2338256
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| Formula |
C18H25N3O2
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| Molecular Weight |
315.417
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| Canonical SMILES |
Cn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O
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| InChI |
InChI=1S/C18H25N3O2/c1-20-15-3-2-4-21(17(22)14(15)10-19-20)16-12-5-11-6-13(16)9-18(23,7-11)8-12/h10-13,16,23H,2-9H2,1H3/t11?,12?,13?,16-,18+
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| InChIKey |
PMAPWQRZSCAYLV-SZBIMSGQSA-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