General Information of the Compound
| Compound ID |
CP0332788
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| Compound Name |
1-adamantyl-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-pyridin-4-ylethylamino)propan-2-yl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]methanone
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| Structure |
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| Formula |
C36H46N4O
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| Molecular Weight |
550.791
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| Canonical SMILES |
C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C36H46N4O/c1-23-12-24(2)14-30(13-23)34-33(25(3)21-38-10-6-26-4-8-37-9-5-26)31-22-40(11-7-32(31)39-34)35(41)36-18-27-15-28(19-36)17-29(16-27)20-36/h4-5,8-9,12-14,25,27-29,38-39H,6-7,10-11,15-22H2,1-3H3/t25-,27?,28?,29?,36?/m1/s1
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| InChIKey |
DBZQPMXYZLHNKR-RPFINBQBSA-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