General Information of the Compound
| Compound ID |
CP0566611
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| Compound Name |
(5R,8S,9S,10S,11S,14R)-17-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]propan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C33H52O4
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| Molecular Weight |
512.775
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| Canonical SMILES |
C[C@H](C[C@@H]1OC(C)(C)O[C@H]1C(C)=C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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| InChI |
InChI=1S/C33H52O4/c1-19(2)27-24(36-30(6,7)37-27)17-20(3)21-11-15-32(9)22(21)18-23(34)28-31(8)14-13-26(35)29(4,5)25(31)12-16-33(28,32)10/h20,23-25,27-28,34H,1,11-18H2,2-10H3/t20-,23+,24+,25+,27+,28+,31+,32+,33+/m1/s1
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| InChIKey |
BNYNGFKIIHDIHN-YVGIYQAHSA-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