General Information of the Compound
| Compound ID |
CP0066012
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| Compound Name |
2-[7-[6-[(1S)-1,2-dihydroxyethyl]pyridin-2-yl]-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-N-methylacetamide
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| Structure |
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| Formula |
C26H27F3N4O3
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| Molecular Weight |
500.521
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| Canonical SMILES |
CNC(=O)CN1CCN(c2ccc(cc2)C(F)(F)F)c2ccc(cc2C1)-c1cccc(n1)[C@H](O)CO
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| InChI |
InChI=1S/C26H27F3N4O3/c1-30-25(36)15-32-11-12-33(20-8-6-19(7-9-20)26(27,28)29)23-10-5-17(13-18(23)14-32)21-3-2-4-22(31-21)24(35)16-34/h2-10,13,24,34-35H,11-12,14-16H2,1H3,(H,30,36)/t24-/m1/s1
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| InChIKey |
PANKKSHDMMARJO-XMMPIXPASA-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