General Information of the Compound
| Compound ID |
CP0575316
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| Compound Name |
(5R,7R,8S,9S,10S,11S,14S)-7,11-dihydroxy-17-[(2R)-1-[(4S,5R)-5-(2-hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-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 |
C33H54O6
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| Molecular Weight |
546.789
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| Canonical SMILES |
C[C@H](C[C@@H]1OC(C)(C)O[C@H]1C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@]3(C)[C@@]2(C)CC1
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| InChI |
InChI=1S/C33H54O6/c1-18(15-22-27(29(4,5)37)39-30(6,7)38-22)19-11-14-32(9)20(19)16-21(34)26-31(8)13-12-24(35)28(2,3)23(31)17-25(36)33(26,32)10/h18,21-23,25-27,34,36-37H,11-17H2,1-10H3/t18-,21+,22+,23+,25-,26+,27-,31+,32+,33+/m1/s1
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| InChIKey |
IFLAQKQHPAEAHV-KCZPHHSRSA-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