General Information of the Compound
| Compound ID |
CP0155999
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| Compound Name |
(S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(2-methyl-1H-benzo[d]imidazol-5-yl)ethylamino)propan-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)-2-(2-fluoro-6-(trifluoromethyl)phenyl)ethanone
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| Structure |
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| Formula |
C37H39F4N5O
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| Molecular Weight |
645.745
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| Canonical SMILES |
C[C@H](CNCCc1ccc2nc(C)[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C37H39F4N5O/c1-21-14-22(2)16-26(15-21)36-35(23(3)19-42-12-10-25-8-9-32-33(17-25)44-24(4)43-32)28-20-46(13-11-31(28)45-36)34(47)18-27-29(37(39,40)41)6-5-7-30(27)38/h5-9,14-17,23,42,45H,10-13,18-20H2,1-4H3,(H,43,44)/t23-/m1/s1
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| InChIKey |
JDPYVJZHURCBGX-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