General Information of the Compound
| Compound ID |
CP0571449
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| Compound Name |
N-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-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 |
C33H38N4O6S
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| Molecular Weight |
618.756
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| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
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| InChI |
InChI=1S/C33H38N4O6S/c1-22-18-37(23(2)21-38)33(40)28-17-25(34-32(39)16-24-19-35(3)29-13-9-8-12-27(24)29)14-15-30(28)43-31(22)20-36(4)44(41,42)26-10-6-5-7-11-26/h5-15,17,19,22-23,31,38H,16,18,20-21H2,1-4H3,(H,34,39)/t22-,23-,31+/m1/s1
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| InChIKey |
MBNYKVGBGKAAES-PKIAKLFDSA-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