General Information of the Compound
| Compound ID |
CP0541180
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| Compound Name |
(1R,4aS,10aR)-N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6-[[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]sulfamoyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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| Structure |
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| Formula |
C50H54F2N4O5S
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| Molecular Weight |
861.068
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| Canonical SMILES |
CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F
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| InChI |
InChI=1S/C50H54F2N4O5S/c1-32(2)36-30-35-24-25-45-49(3,26-15-27-50(45,4)48(59)55-42(28-33-16-7-5-8-17-33)46(57)53-40-22-13-11-20-38(40)51)37(35)31-44(36)62(60,61)56-43(29-34-18-9-6-10-19-34)47(58)54-41-23-14-12-21-39(41)52/h5-14,16-23,30-32,42-43,45,56H,15,24-29H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/m1/s1
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| InChIKey |
KTGRBNDUSNDAMR-BEFHDJFHSA-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