General Information of the Compound
| Compound ID |
CP0532961
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| Compound Name |
1-[(1S,2R,13S,14S,17R,18S,20S)-17,20-dihydroxy-2,18-dimethyl-6-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-hydroxyethanone
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| Formula |
C28H34N2O4
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| Molecular Weight |
462.59
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5nn(cc5C[C@]34C)-c3ccccc3)[C@@H]1CC[C@]2(O)C(=O)CO
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| InChI |
InChI=1S/C28H34N2O4/c1-26-13-17-15-30(19-6-4-3-5-7-19)29-22(17)12-18(26)8-9-20-21-10-11-28(34,24(33)16-31)27(21,2)14-23(32)25(20)26/h3-7,12,15,20-21,23,25,31-32,34H,8-11,13-14,16H2,1-2H3/t20-,21-,23-,25+,26-,27-,28-/m0/s1
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| InChIKey |
HCSGCCGLOQXCQL-LQHZEQFVSA-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