General Information of the Compound
| Compound ID |
CP0966599
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| Compound Name |
SID131462224
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| Structure |
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| Formula |
C30H30FN3O2
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| Molecular Weight |
483.587
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| Canonical SMILES |
O=C(Cc1ccncc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO
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| InChI |
InChI=1S/C30H30FN3O2/c31-26-6-2-1-5-24(26)10-7-22-8-11-25(12-9-22)30-27-20-33(17-3-4-18-34(27)28(30)21-35)29(36)19-23-13-15-32-16-14-23/h1-2,5-6,8-9,11-16,27-28,30,35H,3-4,17-21H2/t27-,28+,30+/m1/s1
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| InChIKey |
ZSIULGFFMDATPJ-UNRZKBSHSA-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