General Information of the Compound
| Compound ID |
CP0865133
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| Compound Name |
SID144190859
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| Structure |
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| Formula |
C32H35FN4O5S
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| Molecular Weight |
606.72
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| Canonical SMILES |
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1
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| InChI |
InChI=1S/C32H35FN4O5S/c1-21-5-4-6-25(17-21)43(40,41)36-15-13-32(14-16-36)20-37(31(39)34-23-9-7-22(33)8-10-23)28(19-38)30-29(32)26-12-11-24(42-3)18-27(26)35(30)2/h4-12,17-18,28,38H,13-16,19-20H2,1-3H3,(H,34,39)/t28-/m0/s1
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| InChIKey |
RYJJLUIBNDVHBM-NDEPHWFRSA-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