General Information of the Compound
| Compound ID |
CP0422898
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| Compound Name |
(1R,4aS,10aR)-N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-6-[[(2S)-1-anilino-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 |
C50H56N4O5S
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| Molecular Weight |
825.088
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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)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C50H56N4O5S/c1-34(2)40-32-37-26-27-45-49(3,28-17-29-50(45,4)48(57)53-42(30-35-18-9-5-10-19-35)46(55)51-38-22-13-7-14-23-38)41(37)33-44(40)60(58,59)54-43(31-36-20-11-6-12-21-36)47(56)52-39-24-15-8-16-25-39/h5-16,18-25,32-34,42-43,45,54H,17,26-31H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)/t42-,43-,45+,49+,50+/m0/s1
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| InChIKey |
KDSZBJVBHXTOGE-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