General Information of the Compound
| Compound ID |
CP0574735
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| Compound Name |
(5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5R)-4,5-dihydroxy-5-[(2R)-2-methyloxiran-2-yl]pentan-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 |
C30H48O5
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| Molecular Weight |
488.709
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@@H](O)[C@@]1(C)CO1)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/C30H48O5/c1-17(14-21(32)25(34)30(7)16-35-30)18-8-12-28(5)19(18)15-20(31)24-27(4)11-10-23(33)26(2,3)22(27)9-13-29(24,28)6/h17,20-22,24-25,31-32,34H,8-16H2,1-7H3/t17-,20+,21+,22+,24+,25-,27+,28+,29+,30-/m1/s1
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| InChIKey |
MFLMJYLQWHXKGI-YILQFDHCSA-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