General Information of the Compound
| Compound ID |
CP0570893
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| Compound Name |
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-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 |
C27H34N4O4
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| Molecular Weight |
478.593
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| Canonical SMILES |
CNC[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/C27H34N4O4/c1-17-14-31(18(2)16-32)27(34)22-12-20(9-10-24(22)35-25(17)13-28-3)29-26(33)11-19-15-30(4)23-8-6-5-7-21(19)23/h5-10,12,15,17-18,25,28,32H,11,13-14,16H2,1-4H3,(H,29,33)/t17-,18-,25+/m1/s1
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| InChIKey |
PPWFHLCHCLIHFE-GAKIBJFNSA-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