General Information of the Compound
| Compound ID |
CP0946011
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| Compound Name |
SID131462187
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| Structure |
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| Formula |
C27H35N3O2
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| Molecular Weight |
433.596
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| Canonical SMILES |
CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1
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| InChI |
InChI=1S/C27H35N3O2/c1-28(2)19-26(32)29-16-6-7-17-30-24(18-29)27(25(30)20-31)23-14-12-22(13-15-23)11-10-21-8-4-3-5-9-21/h3-5,8-15,24-25,27,31H,6-7,16-20H2,1-2H3/b11-10+/t24-,25-,27-/m1/s1
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| InChIKey |
ZAHXKZOKOUSJMC-ACXDTAFXSA-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