General Information of the Compound
| Compound ID |
CP0138177
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| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-1-morpholin-4-yl-propan-1-one
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| Structure |
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| Formula |
C35H44N4O2
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| Molecular Weight |
552.763
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C35H44N4O2/c1-25-21-26(2)23-28(22-25)33-30(12-16-36-13-6-5-7-27-10-14-37-15-11-27)31-24-29(8-9-32(31)38-33)35(3,4)34(40)39-17-19-41-20-18-39/h8-11,14-15,21-24,36,38H,5-7,12-13,16-20H2,1-4H3
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| InChIKey |
PUSXOKJZGMZXRI-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