General Information of the Compound
| Compound ID |
CP0468255
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| Compound Name |
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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 |
C34H38Cl2N4O4
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| Molecular Weight |
637.608
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| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
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| InChI |
InChI=1S/C34H38Cl2N4O4/c1-21-16-40(22(2)20-41)34(43)27-15-25(37-33(42)14-24-18-39(4)30-8-6-5-7-26(24)30)10-12-31(27)44-32(21)19-38(3)17-23-9-11-28(35)29(36)13-23/h5-13,15,18,21-22,32,41H,14,16-17,19-20H2,1-4H3,(H,37,42)/t21-,22-,32+/m1/s1
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| InChIKey |
WSWWOBQXWOAKQJ-FLGDYYPQSA-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