General Information of the Compound
| Compound ID |
CP0492126
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| Compound Name |
1-[(1S,2R,13S,14S,17R,18S,20S)-17,20-dihydroxy-7-(3-methoxyphenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone
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| Formula |
C29H36N2O5
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| Molecular Weight |
492.616
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| Canonical SMILES |
COc1cccc(c1)-n1ncc2C[C@]3(C)[C@H]4[C@@H](O)C[C@@]5(C)[C@@H](CC[C@]5(O)C(=O)CO)[C@@H]4CCC3=Cc12
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| InChI |
InChI=1S/C29H36N2O5/c1-27-13-17-15-30-31(19-5-4-6-20(12-19)36-3)23(17)11-18(27)7-8-21-22-9-10-29(35,25(34)16-32)28(22,2)14-24(33)26(21)27/h4-6,11-12,15,21-22,24,26,32-33,35H,7-10,13-14,16H2,1-3H3/t21-,22-,24-,26+,27-,28-,29-/m0/s1
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| InChIKey |
RRQMEXZTEASUDD-VVFCHSPPSA-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