General Information of the Compound
| Compound ID |
CP0408097
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| Compound Name |
(1R,4aS,10aR)-N-[(2S)-1-(3-bromoanilino)-1-oxo-3-phenylpropan-2-yl]-6-[[(2S)-1-(3-bromoanilino)-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 |
C50H54Br2N4O5S
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| Molecular Weight |
982.88
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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)Nc1cccc(Br)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1
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| InChI |
InChI=1S/C50H54Br2N4O5S/c1-32(2)40-28-35-22-23-45-49(3,24-13-25-50(45,4)48(59)55-42(26-33-14-7-5-8-15-33)46(57)53-38-20-11-18-36(51)29-38)41(35)31-44(40)62(60,61)56-43(27-34-16-9-6-10-17-34)47(58)54-39-21-12-19-37(52)30-39/h5-12,14-21,28-32,42-43,45,56H,13,22-27H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45+,49+,50+/m0/s1
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| InChIKey |
DASLSTMOGFISFX-HNLKLKQNSA-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