General Information of the Compound
| Compound ID |
CP0350712
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| Compound Name |
[(8S,9S,11S,13S,14S,17S)-17-hydroxy-13-methyl-3-[(2-methylpyridin-3-yl)carbamoyl]-17-prop-1-ynyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-yl] prop-2-enyl carbonate
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| Structure |
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| Formula |
C32H36N2O5
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| Molecular Weight |
528.649
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3[C@H](C[C@]12C)OC(=O)OCC=C)C(=O)Nc1cccnc1C
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| InChI |
InChI=1S/C32H36N2O5/c1-5-14-32(37)15-13-25-24-12-9-21-18-22(29(35)34-26-8-7-16-33-20(26)3)10-11-23(21)28(24)27(19-31(25,32)4)39-30(36)38-17-6-2/h6-8,10-11,16,18,24-25,27-28,37H,2,9,12-13,15,17,19H2,1,3-4H3,(H,34,35)/t24-,25-,27-,28+,31-,32-/m0/s1
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| InChIKey |
FTLJWKUZWUDXMD-VJRZSFLMSA-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