General Information of the Compound
| Compound ID |
CP0488270
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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]acetonitrile
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| Structure |
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| Formula |
C25H23F3N4O2
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| Molecular Weight |
468.479
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| Canonical SMILES |
OC[C@@H](O)c1cccc(n1)-c1ccc2N(CCN(CC#N)Cc2c1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H23F3N4O2/c26-25(27,28)19-5-7-20(8-6-19)32-13-12-31(11-10-29)15-18-14-17(4-9-23(18)32)21-2-1-3-22(30-21)24(34)16-33/h1-9,14,24,33-34H,11-13,15-16H2/t24-/m1/s1
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| InChIKey |
ILUPSHMSCWEPQR-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