General Information of the Compound
| Compound ID |
CP0199924
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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)ethanone
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| Structure |
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| Formula |
C27H34N4O
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| Molecular Weight |
430.596
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| Canonical SMILES |
C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(C)=O
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| InChI |
InChI=1S/C27H34N4O/c1-18-13-19(2)15-23(14-18)27-26(24-17-31(21(4)32)12-8-25(24)30-27)20(3)16-29-11-7-22-5-9-28-10-6-22/h5-6,9-10,13-15,20,29-30H,7-8,11-12,16-17H2,1-4H3/t20-/m1/s1
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| InChIKey |
NFZZPBLNCXXAMM-HXUWFJFHSA-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