General Information of the Compound
| Compound ID |
CP0886258
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| Compound Name |
SID131462646
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
COCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO
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| InChI |
InChI=1S/C25H32N2O3/c1-18-5-7-19(8-6-18)20-9-11-21(12-10-20)25-22-15-26(24(29)17-30-2)13-3-4-14-27(22)23(25)16-28/h5-12,22-23,25,28H,3-4,13-17H2,1-2H3/t22-,23+,25-/m1/s1
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| InChIKey |
KGNJXXRMCSGVOY-GIFXNVAJSA-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