General Information of the Compound
| Compound ID |
CP0557161
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| Compound Name |
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(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 |
C35H40N4O6
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| Molecular Weight |
612.727
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| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3OCOc3c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
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| InChI |
InChI=1S/C35H40N4O6/c1-22-16-39(23(2)20-40)35(42)28-15-26(36-34(41)14-25-18-38(4)29-8-6-5-7-27(25)29)10-12-30(28)45-33(22)19-37(3)17-24-9-11-31-32(13-24)44-21-43-31/h5-13,15,18,22-23,33,40H,14,16-17,19-21H2,1-4H3,(H,36,41)/t22-,23-,33+/m1/s1
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| InChIKey |
JVQYZDSRPVTFBX-CURJATOHSA-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