General Information of the Compound
| Compound ID |
CP0413134
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| Compound Name |
N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide
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| Structure |
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| Formula |
C35H42ClN5O5S
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| Molecular Weight |
680.271
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| Canonical SMILES |
C[C@H](CN(C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
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| InChI |
InChI=1S/C35H42ClN5O5S/c1-23-19-41(24(2)20-38(3)4)35(43)30-18-27(37-34(42)17-25-21-39(5)31-10-8-7-9-29(25)31)13-16-32(30)46-33(23)22-40(6)47(44,45)28-14-11-26(36)12-15-28/h7-16,18,21,23-24,33H,17,19-20,22H2,1-6H3,(H,37,42)/t23-,24-,33+/m1/s1
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| InChIKey |
MIZPSDDIQOSQOK-PYAKLNENSA-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