General Information of the Compound
| Compound ID |
CP0333951
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| Compound Name |
(1R,2S,5S,6S,9S,10R,14R)-6-hydroxy-5-methylpentacyclo[12.3.2.0^{1,13}.0^{2,10}.0^{5,9}]nonadec-12-en-15-one
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| Structure |
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| Formula |
C20H28O2
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| Molecular Weight |
300.442
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C20H28O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16,18,22H,2,4-11H2,1H3/t12-,13+,14-,16-,18-,19-,20-/m0/s1
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| InChIKey |
PFBVJMDFINYAJU-GXPUXGCPSA-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