General Information of the Compound
| Compound ID |
CP0404923
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| Compound Name |
(1R,3S,3aR,3bS,10R)-10-(4-Dimethylamino-phenyl)-1-hydroxy-1-isopropenyl-12a-methyl-2,3,3a,3b,4,5,9,10,12,12a-decahydro-1H,8H-11-oxa-naphtho[2,1-e]azulen-7-one
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| Structure |
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| Formula |
C29H37NO3
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| Molecular Weight |
447.619
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| Canonical SMILES |
CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=C)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C29H37NO3/c1-18(2)29(32)15-14-25-24-12-8-20-16-22(31)11-13-23(20)26(24)27(33-17-28(25,29)3)19-6-9-21(10-7-19)30(4)5/h6-7,9-10,16,24-25,27,32H,1,8,11-15,17H2,2-5H3/t24-,25-,27+,28-,29+/m0/s1
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| InChIKey |
HDCJFWTUMAKTNA-DCJUPOQYSA-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: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor