General Information of the Compound
| Compound ID |
CP0375564
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| Compound Name |
1-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]-3-(2-hydroxyethyl)urea
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| Structure |
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| Formula |
C32H54N2O3
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| Molecular Weight |
514.795
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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)NCCO
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| InChI |
InChI=1S/C32H54N2O3/c1-20(2)21-10-15-32(34-27(37)33-18-19-35)17-16-30(6)22(26(21)32)8-9-24-29(5)13-12-25(36)28(3,4)23(29)11-14-31(24,30)7/h21-26,35-36H,1,8-19H2,2-7H3,(H2,33,34,37)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1
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| InChIKey |
NDFXTGPHERTZGX-BWXYOZBYSA-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