General Information of the Compound
| Compound ID |
CP0562330
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| Compound Name |
(8R,9S,13R,14R,15S)-N-(cyclobutylmethyl)-13-methyl-3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-15-carboxamide
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| Structure |
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| Formula |
C32H48N2O2
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| Molecular Weight |
492.748
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc2[C@H]3CC[C@]4(C)CC[C@@H]([C@H]4[C@@H]3CCc2c1)C(=O)NCC1CCC1
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| InChI |
InChI=1S/C32H48N2O2/c1-22-6-4-17-34(22)18-5-19-36-25-10-12-26-24(20-25)9-11-28-27(26)13-15-32(2)16-14-29(30(28)32)31(35)33-21-23-7-3-8-23/h10,12,20,22-23,27-30H,3-9,11,13-19,21H2,1-2H3,(H,33,35)/t22-,27-,28-,29+,30-,32-/m1/s1
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| InChIKey |
SYJLXFGMGLFSPJ-NYLOWIMFSA-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