General Information of the Compound
| Compound ID |
CP0862108
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| Compound Name |
SID131462424
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| Structure |
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| Formula |
C27H29FN2O3S
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| Molecular Weight |
480.605
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| Canonical SMILES |
O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1
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| InChI |
InChI=1S/C27H29FN2O3S/c28-24-11-5-4-10-23(24)20-12-14-21(15-13-20)27-25-18-29(16-6-7-17-30(25)26(27)19-31)34(32,33)22-8-2-1-3-9-22/h1-5,8-15,25-27,31H,6-7,16-19H2/t25-,26-,27-/m1/s1
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| InChIKey |
YJFCQCPZICPJOQ-ZONZVBGPSA-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