General Information of the Compound
| Compound ID |
CP0483315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-yl] N-[(5R)-6-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxohexyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C69H93F2N21O18
|
||||||||||||||||||
| Molecular Weight |
1542.628
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(F)F)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C69H93F2N21O18/c1-35(2)25-45(58(100)84-44(12-7-22-77-66(74)75)64(106)91-23-8-13-50(91)63(105)80-31-53(73)96)85-56(98)42(11-5-6-21-78-68(108)110-55-51(33-94)109-65(69(55,70)71)92-24-20-52(72)90-67(92)107)83-59(101)46(26-36-14-16-39(95)17-15-36)86-62(104)49(32-93)89-60(102)47(27-37-29-79-41-10-4-3-9-40(37)41)87-61(103)48(28-38-30-76-34-81-38)88-57(99)43-18-19-54(97)82-43/h3-4,9-10,14-17,20,24,29-30,34-35,42-51,55,65,79,93-95H,5-8,11-13,18-19,21-23,25-28,31-33H2,1-2H3,(H2,73,96)(H,76,81)(H,78,108)(H,80,105)(H,82,97)(H,83,101)(H,84,100)(H,85,98)(H,86,104)(H,87,103)(H,88,99)(H,89,102)(H2,72,90,107)(H4,74,75,77)/t42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,55-,65-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUVHRPKDZMVYIO-VWMISJHFSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound