General Information of the Compound
| Compound ID |
CP0426817
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| Compound Name |
(1S,2S,10R,18R)-19-(cyclopropylmethyl)-2,13-dihydroxy-8-(2-phenylethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),12,14,16(22)-tetraen-7-one
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| Structure |
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| Formula |
C31H34N2O4
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| Molecular Weight |
498.623
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| Canonical SMILES |
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1=C(CCC(=O)N1CCc1ccccc1)C[C@@]35O
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| InChI |
InChI=1S/C31H34N2O4/c34-23-10-8-21-16-24-31(36)17-22-9-11-25(35)33(14-12-19-4-2-1-3-5-19)27(22)29-30(31,26(21)28(23)37-29)13-15-32(24)18-20-6-7-20/h1-5,8,10,20,24,29,34,36H,6-7,9,11-18H2/t24-,29+,30+,31-/m1/s1
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| InChIKey |
OLGGVKYQNBLGAI-CTZUUEIXSA-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