General Information of the Compound
| Compound ID |
CP0562333
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| Compound Name |
[(4R,5S,8S,9S,10R,13S,14S,17S)-2-carbamoyl-4-chloro-5-hydroxy-10,13-dimethyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
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| Structure |
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| Formula |
C22H32ClNO5
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| Molecular Weight |
425.953
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](Cl)C(=O)C(C[C@]4(C)[C@H]3CC[C@]12C)C(N)=O
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| InChI |
InChI=1S/C22H32ClNO5/c1-11(25)29-16-5-4-14-12-6-9-22(28)18(23)17(26)13(19(24)27)10-21(22,3)15(12)7-8-20(14,16)2/h12-16,18,28H,4-10H2,1-3H3,(H2,24,27)/t12-,13?,14-,15-,16-,18-,20-,21+,22+/m0/s1
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| InChIKey |
JVBFUVZEMULQSD-CQXXJCQUSA-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