General Information of the Compound
| Compound ID |
CP0223421
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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-ethanesulfonyl-piperazin-1-yl)-2-methyl-propan-1-one
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| Structure |
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| Formula |
C38H51N5O3S
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| Molecular Weight |
657.925
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| Canonical SMILES |
CCS(=O)(=O)N1CCN(CC1)C(=O)C(C)(C)c1ccc2[nH]c(c([C@H](C)CNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C38H51N5O3S/c1-7-47(45,46)43-20-18-42(19-21-43)37(44)38(5,6)32-11-12-34-33(25-32)35(36(41-34)31-23-27(2)22-28(3)24-31)29(4)26-40-15-9-8-10-30-13-16-39-17-14-30/h11-14,16-17,22-25,29,40-41H,7-10,15,18-21,26H2,1-6H3/t29-/m1/s1
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| InChIKey |
XMTTVOWPPRXBMY-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