General Information of the Compound
| Compound ID |
CP0156000
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| Compound Name |
(S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)-2-(2-fluorophenyl)ethanone
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| Structure |
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| Formula |
C33H37FN4O
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| Molecular Weight |
524.684
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| Canonical SMILES |
C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1ccccc1F
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| InChI |
InChI=1S/C33H37FN4O/c1-22-16-23(2)18-27(17-22)33-32(24(3)20-36-14-10-25-8-12-35-13-9-25)28-21-38(15-11-30(28)37-33)31(39)19-26-6-4-5-7-29(26)34/h4-9,12-13,16-18,24,36-37H,10-11,14-15,19-21H2,1-3H3/t24-/m1/s1
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| InChIKey |
QXKNGZFHGKLHEL-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