General Information of the Compound
| Compound ID |
CP0574221
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| Compound Name |
N,N-diethyl-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide
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| Structure |
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| Formula |
C33H57NO3
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| Molecular Weight |
515.823
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| Canonical SMILES |
CCN(CC)C(=O)CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)(C)O
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| InChI |
InChI=1S/C33H57NO3/c1-8-34(9-2)30(35)22-37-25-16-19-32(6)24(21-25)12-13-26-28-15-14-27(33(28,7)20-17-29(26)32)23(3)11-10-18-31(4,5)36/h12,23,25-29,36H,8-11,13-22H2,1-7H3/t23-,25+,26+,27-,28+,29+,32+,33-/m1/s1
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| InChIKey |
FFSNFPDMGXMKSK-ACBDEFBISA-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