General Information of the Compound
| Compound ID |
CP0846198
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| Compound Name |
SID131463369
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| Structure |
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| Formula |
C28H37N3O2
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| Molecular Weight |
447.623
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| Canonical SMILES |
Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1
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| InChI |
InChI=1S/C28H37N3O2/c1-20-8-2-5-11-24(20)21-12-14-22(15-13-21)27-25-18-30(28(33)29-23-9-3-4-10-23)16-6-7-17-31(25)26(27)19-32/h2,5,8,11-15,23,25-27,32H,3-4,6-7,9-10,16-19H2,1H3,(H,29,33)/t25-,26-,27+/m1/s1
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| InChIKey |
TVOCGSUEDUOAHV-PFBJBMPXSA-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