General Information of the Compound
| Compound ID |
CP0563403
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| Compound Name |
(8R,9S,13S,14R,15S)-N-ethyl-13-methyl-3-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-15-carboxamide
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| Structure |
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| Formula |
C29H42N2O3
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| Molecular Weight |
466.666
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| Canonical SMILES |
CCNC(=O)[C@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CCc4cc(OCCCN5CCC[C@@H]5C)ccc34)[C@H]12
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| InChI |
InChI=1S/C29H42N2O3/c1-4-30-28(33)25-18-26(32)29(3)13-12-23-22-11-9-21(17-20(22)8-10-24(23)27(25)29)34-16-6-15-31-14-5-7-19(31)2/h9,11,17,19,23-25,27H,4-8,10,12-16,18H2,1-3H3,(H,30,33)/t19-,23+,24+,25-,27+,29+/m0/s1
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| InChIKey |
HHUDQJYTXZNZNP-ZMFPZENVSA-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