General Information of the Compound
| Compound ID |
CP0500400
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| Compound Name |
CHEMBL2338253
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| Formula |
C25H30ClN3O2
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| Molecular Weight |
439.987
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| Canonical SMILES |
CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H30ClN3O2/c1-24(2)7-8-28(21-16-9-15-10-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-18(26)4-6-19/h3-6,14-17,21,31H,7-13H2,1-2H3/t15?,16?,17?,21-,25+
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| InChIKey |
XTNJWMYCNKCDJC-JWCGBNDWSA-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