General Information of the Compound
| Compound ID |
CP0915294
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| Compound Name |
SID131461890
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| Structure |
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| Formula |
C27H27FN2O3
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| Molecular Weight |
446.522
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| Canonical SMILES |
COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3C)c1
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| InChI |
InChI=1S/C27H27FN2O3/c1-29-24-11-10-18(17-6-5-7-19(14-17)33-2)15-22(24)26-21(25(29)16-31)12-13-30(26)27(32)20-8-3-4-9-23(20)28/h3-11,14-15,21,25-26,31H,12-13,16H2,1-2H3/t21-,25+,26-/m1/s1
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| InChIKey |
JNKMJXQXOOFEEC-QGUKFAFCSA-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