General Information of the Compound
| Compound ID |
CP0578373
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| Compound Name |
(6R)-6-[(1S,2R,13S,14S,17R,18R)-7-acetyl-2,9,9,18-tetramethyl-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-1-morpholin-4-ylheptan-1-one
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| Structure |
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| Formula |
C35H53N3O3
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| Molecular Weight |
563.827
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| Canonical SMILES |
C[C@H](CCCCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)ncn5C(C)=O
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| InChI |
InChI=1S/C35H53N3O3/c1-23(9-7-8-10-31(40)37-17-19-41-20-18-37)26-12-13-27-25-11-14-30-33(3,4)32-29(36-22-38(32)24(2)39)21-35(30,6)28(25)15-16-34(26,27)5/h14,22-23,25-28H,7-13,15-21H2,1-6H3/t23-,25+,26-,27+,28+,34-,35-/m1/s1
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| InChIKey |
BFQPFMBQGNTDSV-CQBGNDNJSA-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