General Information of the Compound
| Compound ID |
CP0212295
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| Compound Name |
(4aR,4bS,6aS,7S,9aS,9bR,11aR)-7-hydroxy-1,4a,6a-trimethyl-4b,5,6,6a,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinolin-2(4aH)-one
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| Structure |
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| Formula |
C19H29NO2
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| Molecular Weight |
303.446
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| Canonical SMILES |
CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O
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| InChI |
InChI=1S/C19H29NO2/c1-18-11-9-17(22)20(3)15(18)6-4-12-13-5-7-16(21)19(13,2)10-8-14(12)18/h9,11-16,21H,4-8,10H2,1-3H3/t12-,13-,14-,15+,16-,18+,19-/m0/s1
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| InChIKey |
YHFQMWFGXWPJJT-NPFZYRJPSA-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