General Information of the Compound
| Compound ID |
CP0469999
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| Compound Name |
({[3-hydroxy-28-oxolup-20(29)-en-28-yl]oxy}methyl)carbamic acid
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| Structure |
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| Formula |
C31H51NO3
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| Molecular Weight |
485.753
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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)C(=O)OCN
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| InChI |
InChI=1S/C31H51NO3/c1-19(2)20-10-15-31(26(34)35-18-32)17-16-29(6)21(25(20)31)8-9-23-28(5)13-12-24(33)27(3,4)22(28)11-14-30(23,29)7/h20-25,33H,1,8-18,32H2,2-7H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
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| InChIKey |
MMBYAHCDPGKEKS-JVRMVBBZSA-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