General Information of the Compound
| Compound ID |
CP0390128
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| Compound Name |
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3-(2-chloroacetyl)oxy-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate
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| Structure |
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| Formula |
C30H37ClO9
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| Molecular Weight |
577.07
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| Canonical SMILES |
CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@@H](C[C@@H]1[C@@]3(C)CC[C@@H](CC3=CC[C@@]21O)OC(=O)CCl)OC(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C30H37ClO9/c1-17(32)28(36)12-13-30(38)27(28,3)23(40-25(35)18-4-6-20(33)7-5-18)15-22-26(2)10-9-21(39-24(34)16-31)14-19(26)8-11-29(22,30)37/h4-8,21-23,33,36-38H,9-16H2,1-3H3/t21-,22+,23+,26-,27+,28+,29-,30+/m0/s1
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| InChIKey |
UCHSQXQNUUFFLM-CZTKLRHSSA-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