General Information of the Compound
| Compound ID |
CP0504535
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| Compound Name |
(1S)-1-[6-[4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridin-2-yl]ethane-1,2-diol
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| Structure |
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| Formula |
C24H24F3N3O4S
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| Molecular Weight |
507.534
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| Canonical SMILES |
CS(=O)(=O)N1CCN(c2ccc(cc2)C(F)(F)F)c2ccc(cc2C1)-c1cccc(n1)[C@H](O)CO
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| InChI |
InChI=1S/C24H24F3N3O4S/c1-35(33,34)29-11-12-30(19-8-6-18(7-9-19)24(25,26)27)22-10-5-16(13-17(22)14-29)20-3-2-4-21(28-20)23(32)15-31/h2-10,13,23,31-32H,11-12,14-15H2,1H3/t23-/m1/s1
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| InChIKey |
SHPLKCRMHIMWRZ-HSZRJFAPSA-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