General Information of the Compound
| Compound ID |
CP0269645
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| Compound Name |
Adamantan-1-yl-carbamic acid (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl este
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| Structure |
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| Formula |
C33H44FNO6
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| Molecular Weight |
569.714
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| Canonical SMILES |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)CO
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| InChI |
InChI=1S/C33H44FNO6/c1-18-8-25-24-5-4-22-12-23(37)6-7-29(22,2)32(24,34)26(38)16-30(25,3)33(18,27(39)17-36)41-28(40)35-31-13-19-9-20(14-31)11-21(10-19)15-31/h6-7,12,18-21,24-26,36,38H,4-5,8-11,13-17H2,1-3H3,(H,35,40)/t18-,19?,20?,21?,24-,25-,26-,29-,30-,31?,32-,33-/m0/s1
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| InChIKey |
WDMHNYGKKIGVDS-VDOFVVGCSA-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: PT00848, Interstitial collagenase
Protein ID: PT06942, Tyrosine aminotransferase