General Information of the Compound
| Compound ID |
CP0949361
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| Compound Name |
SID131447484
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| Structure |
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| Formula |
C25H24N2O3
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| Molecular Weight |
400.478
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| Canonical SMILES |
COc1ccccc1C#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1
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| InChI |
InChI=1S/C25H24N2O3/c1-30-23-8-3-2-5-18(23)12-9-17-10-13-19(14-11-17)24-21(15-26)27(22(24)16-28)25(29)20-6-4-7-20/h2-3,5,8,10-11,13-14,20-22,24,28H,4,6-7,16H2,1H3/t21-,22-,24-/m0/s1
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| InChIKey |
RDYVFSKXJCPRKJ-FIXSFTCYSA-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