General Information of the Compound
| Compound ID |
CP0174756
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| Compound Name |
(5R,8S,9S,10R,14R)-17-[(2R,4S,5R)-4,5-dihydroxy-6-methylhept-6-en-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 |
C30H48O3
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| Molecular Weight |
456.711
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@H](O)C(C)=C)C1=C2CC[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/C30H48O3/c1-18(2)26(33)22(31)17-19(3)20-11-15-29(7)21(20)9-10-24-28(6)14-13-25(32)27(4,5)23(28)12-16-30(24,29)8/h19,22-24,26,31,33H,1,9-17H2,2-8H3/t19-,22+,23+,24+,26-,28+,29+,30+/m1/s1
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| InChIKey |
KSXSGXZOFUHSPA-HQQZCOGHSA-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