General Information of the Compound
| Compound ID |
CP0388366
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| Compound Name |
1-((1R,3alphaS,5alphaR,5betaR,9S,11alphaR)-icosahydro-9-hydroxy-5alpha,5beta,8,8,11alpha-pentamethyl-1-(prop-1-en-2-yl)-1H-cyclopenta[a]chrysen-3alpha-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
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| Structure |
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| Formula |
C34H58N2O3
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| Molecular Weight |
542.849
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| Canonical SMILES |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NC(=O)NC(C)(C)CO
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| InChI |
InChI=1S/C34H58N2O3/c1-21(2)22-12-17-34(36-28(39)35-29(3,4)20-37)19-18-32(8)23(27(22)34)10-11-25-31(7)15-14-26(38)30(5,6)24(31)13-16-33(25,32)9/h22-27,37-38H,1,10-20H2,2-9H3,(H2,35,36,39)/t22-,23+,24-,25+,26-,27+,31-,32+,33+,34-/m0/s1
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| InChIKey |
XIRDTUNQGLHFRW-WVRTZRCQSA-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