General Information of the Compound
| Compound ID |
CP0275785
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| Compound Name |
2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl) ester
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| Synonyms |
3-O-(3' 3'-dimethylsuccinyl)-betulinic acid
Bevirimat
Bevirimat dimeglumine
DSB
DSB 2NMG
MPC-4326
PA-103001-01
PA-103001-04
PA-457
PA-457 di-NMG
Viral maturation inhibitor (HIV), Myrexis
Viral maturation inhibitor (HIV), Myriad
Viral maturation inhibitor (HIV), Panacos
YK-FH-312
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| Structure |
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| Formula |
C36H56O6
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| Molecular Weight |
584.838
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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](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
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| InChI |
InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
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| InChIKey |
YJEJKUQEXFSVCJ-WRFMNRASSA-N
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| CAS |
174022-42-5
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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: PT03623, Gag-Pol polyprotein
Clinical Information about the Compound