General Information of the Compound
| Compound ID |
CP0223103
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| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-1-(4,4-dimethyl-piperidin-1-yl)-2-methyl-propan-1-one
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| Structure |
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| Formula |
C39H52N4O
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| Molecular Weight |
592.872
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| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC(C)(C)CC1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C39H52N4O/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-17-9-8-10-30-13-18-40-19-14-30)33-25-32(11-12-34(33)42-36)39(6,7)37(44)43-20-15-38(4,5)16-21-43/h11-14,18-19,22-25,29,41-42H,8-10,15-17,20-21,26H2,1-7H3/t29-/m1/s1
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| InChIKey |
PIEZQTZGRGZDED-GDLZYMKVSA-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