General Information of the Compound
| Compound ID |
CP0472316
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| Compound Name |
N-[(2R,3R)-2-[[cyclohexylmethyl(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 |
C34H46N4O4
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| Molecular Weight |
574.766
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| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
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| InChI |
InChI=1S/C34H46N4O4/c1-23-18-38(24(2)22-39)34(41)29-17-27(35-33(40)16-26-20-37(4)30-13-9-8-12-28(26)30)14-15-31(29)42-32(23)21-36(3)19-25-10-6-5-7-11-25/h8-9,12-15,17,20,23-25,32,39H,5-7,10-11,16,18-19,21-22H2,1-4H3,(H,35,40)/t23-,24-,32+/m1/s1
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| InChIKey |
KVUBTNFMPQUODB-LFQYBHLRSA-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