General Information of the Compound
| Compound ID |
CP0564980
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| Compound Name |
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-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 |
C35H42N4O5
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| Molecular Weight |
598.744
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| Canonical SMILES |
COc1ccc(CN(C)C[C@@H]2Oc3ccc(NC(=O)Cc4cn(C)c5ccccc45)cc3C(=O)N(C[C@H]2C)[C@H](C)CO)cc1
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| InChI |
InChI=1S/C35H42N4O5/c1-23-18-39(24(2)22-40)35(42)30-17-27(36-34(41)16-26-20-38(4)31-9-7-6-8-29(26)31)12-15-32(30)44-33(23)21-37(3)19-25-10-13-28(43-5)14-11-25/h6-15,17,20,23-24,33,40H,16,18-19,21-22H2,1-5H3,(H,36,41)/t23-,24-,33+/m1/s1
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| InChIKey |
AAZVQPRYAJIXPQ-PYAKLNENSA-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