General Information of the Compound
| Compound ID |
CP0422546
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| Compound Name |
tert-butyl 2-[[(8S,9S,10R,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]amino]acetate
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| Structure |
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| Formula |
C27H41NO4
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| Molecular Weight |
443.628
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| Canonical SMILES |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)NCC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H41NO4/c1-16(29)20-9-10-21-19-8-7-17-13-18(30)11-12-26(17,5)24(19)22(14-27(20,21)6)28-15-23(31)32-25(2,3)4/h13,19-22,24,28H,7-12,14-15H2,1-6H3/t19-,20+,21-,22-,24+,26-,27+/m0/s1
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| InChIKey |
KSKUOVWHZUFSQK-OPCRWSCESA-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