General Information of the Compound
| Compound ID |
CP0912658
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| Compound Name |
SID131460384
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| Structure |
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| Formula |
C26H32N2O3
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| Molecular Weight |
420.553
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| Canonical SMILES |
COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCCCC1)[C@@H](CO)N2
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| InChI |
InChI=1S/C26H32N2O3/c1-31-24-10-6-5-9-19(24)18-11-12-22-21(15-18)25-20(23(16-29)27-22)13-14-28(25)26(30)17-7-3-2-4-8-17/h5-6,9-12,15,17,20,23,25,27,29H,2-4,7-8,13-14,16H2,1H3/t20-,23-,25-/m1/s1
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| InChIKey |
CYCCLRLTJGJAOG-QFZRFWILSA-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