General Information of the Compound
| Compound ID |
CP0450943
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| Compound Name |
2-methoxy-N-[2-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-4-(2-morpholin-4-ylethoxy)benzamide
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| Formula |
C33H38N4O6S2
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| Molecular Weight |
650.823
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| Canonical SMILES |
COc1ccc(cc1)[C@H](C)NC(=O)CSc1nc2ccc(NC(=O)c3ccc(OCCN4CCOCC4)c(C)c3OC)cc2s1
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| InChI |
InChI=1S/C33H38N4O6S2/c1-21-28(43-18-15-37-13-16-42-17-14-37)12-10-26(31(21)41-4)32(39)35-24-7-11-27-29(19-24)45-33(36-27)44-20-30(38)34-22(2)23-5-8-25(40-3)9-6-23/h5-12,19,22H,13-18,20H2,1-4H3,(H,34,38)(H,35,39)/t22-/m0/s1
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| InChIKey |
NTFBXCAMUASLBS-QFIPXVFZSA-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