General Information of the Compound
| Compound ID |
CP0555854
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| Compound Name |
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)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 |
C34H40N4O7S
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| Molecular Weight |
648.782
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C(=O)N(C[C@H]1C)[C@H](C)CO
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| InChI |
InChI=1S/C34H40N4O7S/c1-22-18-38(23(2)21-39)34(41)29-17-25(35-33(40)16-24-19-36(3)30-9-7-6-8-28(24)30)10-15-31(29)45-32(22)20-37(4)46(42,43)27-13-11-26(44-5)12-14-27/h6-15,17,19,22-23,32,39H,16,18,20-21H2,1-5H3,(H,35,40)/t22-,23-,32+/m1/s1
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| InChIKey |
TWWONBNKBFMJPN-PQDHALMWSA-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