General Information of the Compound
| Compound ID |
CP0554736
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| Compound Name |
N-[(2R,3R)-5-[(2R)-1-aminopropan-2-yl]-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-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 |
C33H38ClN5O5S
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| Molecular Weight |
652.217
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| Canonical SMILES |
C[C@H](CN)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/C33H38ClN5O5S/c1-21-18-39(22(2)17-35)33(41)28-16-25(36-32(40)15-23-19-37(3)29-8-6-5-7-27(23)29)11-14-30(28)44-31(21)20-38(4)45(42,43)26-12-9-24(34)10-13-26/h5-14,16,19,21-22,31H,15,17-18,20,35H2,1-4H3,(H,36,40)/t21-,22-,31+/m1/s1
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| InChIKey |
CBSOXBNPGXEBAN-ZGPNTQEDSA-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