General Information of the Compound
| Compound ID |
CP0576852
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| Compound Name |
(4R)-4-[(1S,2R,12R,13S,14S,17R,18R)-12-hydroxy-2,9,9,18-tetramethyl-7-(2-methylpropanoyl)-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-1-morpholin-4-ylpentan-1-one
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| Structure |
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| Formula |
C35H53N3O4
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| Molecular Weight |
579.826
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| Canonical SMILES |
CC(C)C(=O)n1cnc2C[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4[C@@H](O)C=C3C(C)(C)c12)[C@H](C)CCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C35H53N3O4/c1-21(2)32(41)38-20-36-26-19-35(7)25-12-13-34(6)23(22(3)8-11-29(40)37-14-16-42-17-15-37)9-10-24(34)30(25)27(39)18-28(35)33(4,5)31(26)38/h18,20-25,27,30,39H,8-17,19H2,1-7H3/t22-,23-,24+,25+,27+,30+,34-,35-/m1/s1
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| InChIKey |
NCWTULHIACDJEB-BYGLVFFLSA-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