General Information of the Compound
| Compound ID |
CP0291348
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| Compound Name |
5-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)-phenyl]-methyl-amino}-pentanoic acid
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| Structure |
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| Formula |
C33H41NO4
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| Molecular Weight |
515.694
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCC(O)=O
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| InChI |
InChI=1S/C33H41NO4/c1-4-17-33(38)18-16-29-27-14-10-23-20-25(35)13-15-26(23)31(27)28(21-32(29,33)2)22-8-11-24(12-9-22)34(3)19-6-5-7-30(36)37/h8-9,11-12,20,27-29,38H,5-7,10,13-16,18-19,21H2,1-3H3,(H,36,37)/t27-,28+,29-,32-,33-/m0/s1
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| InChIKey |
NDXNOIHKHGGHMI-IUBAKRFESA-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