General Information of the Compound
| Compound ID |
CP0116014
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| Compound Name |
[(3S,4S,6R)-2,3-dihydroxy-2-methyl-6-[(5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-4-yl] acetate
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| Structure |
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| Formula |
C32H48O6
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| Molecular Weight |
528.73
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| Canonical SMILES |
C[C@H](C[C@H](OC(C)=O)[C@H](O)C(C)(C)O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
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| InChI |
InChI=1S/C32H48O6/c1-18(16-22(38-19(2)33)27(36)29(5,6)37)26-20-10-11-24-30(7)14-13-25(35)28(3,4)23(30)12-15-31(24,8)32(20,9)17-21(26)34/h10-11,18,22-24,27,36-37H,12-17H2,1-9H3/t18-,22+,23+,24+,27+,30+,31+,32+/m1/s1
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| InChIKey |
QFRHSOZLXIIAOY-SUQVKKFHSA-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