General Information of the Compound
| Compound ID |
CP0852866
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| Compound Name |
SID49648722
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| Formula |
C27H41NO5
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| Molecular Weight |
459.627
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| Canonical SMILES |
CCCC/N=C/[C@]12CCC(O)CC1(O)CCC1[C@@H]2CC[C@]2(C)[C@H](C3C=CC(=O)O3)CCC12O
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| InChI |
InChI=1S/C27H41NO5/c1-3-4-15-28-17-25-12-7-18(29)16-26(25,31)13-9-20-19(25)8-11-24(2)21(10-14-27(20,24)32)22-5-6-23(30)33-22/h5-6,17-22,29,31-32H,3-4,7-16H2,1-2H3/b28-17+/t18?,19-,20?,21-,22?,24+,25-,26?,27?/m0/s1
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| InChIKey |
GUUQBVHAKHDDDB-BCJSKJLHSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8