General Information of the Compound
| Compound ID |
CP0459977
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| Compound Name |
CHEMBL2338266
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
CC1(C)CN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c2C1)-c1ccccc1
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| InChI |
InChI=1S/C25H31N3O2/c1-24(2)13-21-20(14-26-28(21)19-6-4-3-5-7-19)23(29)27(15-24)22-17-8-16-9-18(22)12-25(30,10-16)11-17/h3-7,14,16-18,22,30H,8-13,15H2,1-2H3/t16?,17?,18?,22-,25+
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| InChIKey |
YXOCMNIVIOISGO-DRFPKCGZSA-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