General Information of the Compound
| Compound ID |
CP0299802
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| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-1-(2,5-dimethyl-pyrrolidin-1-yl)-2-methyl-propan-1-one
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| Structure |
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| Formula |
C37H48N4O
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| Molecular Weight |
564.818
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| Canonical SMILES |
CC1CCC(C)N1C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C37H48N4O/c1-25-21-26(2)23-30(22-25)35-32(16-20-38-17-8-7-9-29-14-18-39-19-15-29)33-24-31(12-13-34(33)40-35)37(5,6)36(42)41-27(3)10-11-28(41)4/h12-15,18-19,21-24,27-28,38,40H,7-11,16-17,20H2,1-6H3
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| InChIKey |
SECFZHGJDQJKBR-UHFFFAOYSA-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