General Information of the Compound
| Compound ID |
CP0933801
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| Compound Name |
SID131464572
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| Structure |
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| Formula |
C30H33N3O2
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| Molecular Weight |
467.613
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| Canonical SMILES |
O=C(Cc1cccnc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO
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| InChI |
InChI=1S/C30H33N3O2/c34-22-28-30(26-14-12-24(13-15-26)11-10-23-7-2-1-3-8-23)27-21-32(17-4-5-18-33(27)28)29(35)19-25-9-6-16-31-20-25/h1-3,6-16,20,27-28,30,34H,4-5,17-19,21-22H2/b11-10+/t27-,28+,30+/m1/s1
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| InChIKey |
PMMZXIZMKPITAD-VWEFUHOQSA-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