General Information of the Compound
| Compound ID |
CP0897516
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| Compound Name |
SID131461419
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| Structure |
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| Formula |
C26H29N3O2
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| Molecular Weight |
415.537
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| Canonical SMILES |
N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1
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| InChI |
InChI=1S/C26H29N3O2/c27-15-17-5-4-8-19(13-17)20-9-10-23-22(14-20)25-21(24(16-30)28-23)11-12-29(25)26(31)18-6-2-1-3-7-18/h4-5,8-10,13-14,18,21,24-25,28,30H,1-3,6-7,11-12,16H2/t21-,24+,25-/m0/s1
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| InChIKey |
PVJUJXJQWNLLFJ-GPUOULLFSA-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