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XL7
XL7
Name:N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
Formula:C22 H20 Cl3 F N4 O4
SMILES:c1(cc(c(c(c1Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cc(cc3Cl)F)Cl)OC)OC
InChi:InChI=1S/C22H20Cl3FN4O4/c1-4-18(31)29-15-6-11(26)5-14(23)21(15)30-22-27-8-12(9-28-22)34-10-13-19(24)16(32-2)7-17(33-3)20(13)25/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30)
Definition date:2017-11-05
Last modified:2024-09-27
Release date:2019-07-10
Identifier:N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
SAR
SAR
Name:SARCOSINE
Formula:C3 H7 N O2
SMILES:O=C(O)CNC
InChi:InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-methylglycine
ZTA
ZTA
Name:(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
Formula:C15 H10 O3
SMILES:O=Cc1c2cc(ccc2ccc1O)c1ccco1
InChi:InChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H
Definition date:2023-07-03
Last modified:2024-09-27
Release date:2023-12-06
Identifier:(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
RVX
RVX
Name:O-[methyl(2-methylpropoxy)phosphoryl]-L-serine
Formula:C8 H18 N O5 P
SMILES:O=C(O)C(N)COP(=O)(OCC(C)C)C
InChi:InChI=1S/C8H18NO5P/c1-6(2)4-13-15(3,12)14-5-7(9)8(10)11/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-,15+/m0/s1
Definition date:2013-02-04
Last modified:2024-09-27
Release date:2013-03-27
Identifier:O-[(R)-methyl(2-methylpropoxy)phosphoryl]-L-serine
XL8
XL8
Name:N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
Formula:C22 H20 Cl4 N4 O4
SMILES:c1(c(Cl)c(c(c(c1)OC)Cl)COc3cnc(Nc2c(cc(cc2NC(CC)=O)Cl)Cl)nc3)OC
InChi:InChI=1S/C22H20Cl4N4O4/c1-4-18(31)29-15-6-11(23)5-14(24)21(15)30-22-27-8-12(9-28-22)34-10-13-19(25)16(32-2)7-17(33-3)20(13)26/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30)
Definition date:2017-11-05
Last modified:2024-09-27
Release date:2019-07-10
Identifier:N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
PVN
PVN
Name:PHYCOVIOLOBILIN
Formula:C33 H40 N4 O6
SMILES:CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1
Synonyms:Phycoviolobilin, bound form
Definition date:2006-11-02
Last modified:2024-09-27
Identifier:3-[5-[[(2R)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
ZTC
ZTC
Name:(2S)-amino(3,5-dimethoxyphenyl)acetic acid
Formula:C10 H13 N O4
SMILES:COc1cc(cc(OC)c1)C(N)C(=O)O
InChi:InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m0/s1
Definition date:2023-03-30
Last modified:2024-09-27
Release date:2023-06-21
Identifier:(2S)-amino(3,5-dimethoxyphenyl)acetic acid
QPJ
QPJ
Name:2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol
Formula:C5 H14 O10 P2
SMILES:P(O)(O)(OCC(O)C(CCO)OP(O)(O)=O)=O
InChi:InChI=1S/C5H14O10P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1
Definition date:2019-12-05
Last modified:2024-09-27
Release date:2022-03-09
Identifier:2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol
XL9
XL9
Name:N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
Formula:C24 H26 Cl2 N4 O4
SMILES:c4(c(Cl)c(c1ccc3c(c1)cnc(NC2COCCC2NC(CC)=O)n3)c(c(c4)OC)Cl)OC
InChi:InChI=1S/C24H26Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h5-6,9-11,16-17H,4,7-8,12H2,1-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1
Definition date:2017-11-05
Last modified:2024-09-27
Release date:2019-07-10
Identifier:N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
UPJ
UPJ
Name:1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide
Formula:C15 H20 N2 O2
SMILES:N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O
InChi:InChI=1S/C15H20N2O2/c1-12(18)17-10-8-13(9-11-17)15(19)16(2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3
Definition date:2020-05-26
Last modified:2024-09-27
Release date:2020-06-10
Identifier:1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide
V3B
V3B
Name:4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide
Formula:C15 H19 N3 O3
SMILES:CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C15H19N3O3/c1-16(2)15(21)18-9-7-17(8-10-18)14(20)13-5-3-12(11-19)4-6-13/h3-6,11H,7-10H2,1-2H3
Definition date:2021-04-08
Last modified:2024-09-27
Release date:2021-06-09
Identifier:4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide
UPK
UPK
Name:2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
Formula:C16 H12 N2 O2
SMILES:Oc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:InChI=1S/C16H12N2O2/c19-11-13-6-7-14(10-15(13)20)18-9-8-17-16(18)12-4-2-1-3-5-12/h1-11,20H
Definition date:2021-03-04
Last modified:2024-09-27
Release date:2021-06-16
Identifier:2-oxidanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
RW1
RW1
Name:4-phenylpyrimidine
Formula:C10 H8 N2
SMILES:n1ccc(nc1)c2ccccc2
InChi:InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
Synonyms:6-phenylpyrimidine
Definition date:2007-11-30
Last modified:2024-09-27
Identifier:4-phenylpyrimidine
ZTG
ZTG
Name:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
Formula:C18 H30 Cl N O4 Si
SMILES:Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
InChi:InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1
Definition date:2023-03-30
Last modified:2024-09-27
Release date:2023-06-21
Identifier:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
T43
T43
Name:2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide
Formula:C30 H35 F4 N5 O4 S2
SMILES:FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=S)NC(CC1CCNC1=O)C(=O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C
InChi:InChI=1S/C30H35F4N5O4S2/c1-28(2,3)22(38-27(43)30(32,33)34)26(42)39-12-14-18(29(14,4)5)20(39)24(44)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20,22H,9-12H2,1-5H3,(H,35,41)(H,36,44)(H,38,43)/t13-,14-,16-,18-,20-,22+/m0/s1
Definition date:2022-07-18
Last modified:2024-09-27
Release date:2022-08-24
Identifier:2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide
X83
X83
Name:methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Formula:C24 H41 F N4 O6
SMILES:CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C
InChi:InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14+,15+,16+,17+,18-,19-/m1/s1
Definition date:2023-10-24
Last modified:2024-09-27
Release date:2024-03-06
Identifier:methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)
KL8
KL8
Name:(3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
Formula:C16 H16 B O5 S
SMILES:OC(=O)c1cccc2C[CH](SCc3ccccc3)[B-](O)(O)Oc12
InChi:InChI=1S/C16H16BO5S/c18-16(19)13-8-4-7-12-9-14(17(20,21)22-15(12)13)23-10-11-5-2-1-3-6-11/h1-8,14,20-21H,9-10H2,(H,18,19)/q-1/t14-/m1/s1
Definition date:2019-06-04
Last modified:2024-09-27
Release date:2020-03-25
Identifier:(4~{S})-3,3-bis(oxidanyl)-4-(phenylmethylsulfanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid
LEA
LEA
Name:PENTANOIC ACID
Formula:C5 H10 O2
SMILES:O=C(O)CCCC
InChi:InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
Synonyms:VALERIC ACID
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:pentanoic acid
V3D
V3D
Name:(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate
Formula:C32 H35 N5 O7
SMILES:COc1cccc2c1cc(n2)C(NC(C(=O)NC(C(=O)COC(c3ccccc3C#N)=O)CC4CCNC4=O)CC(C)C)=O
InChi:InChI=1S/C32H35N5O7/c1-18(2)13-25(37-31(41)26-15-22-23(35-26)9-6-10-28(22)43-3)30(40)36-24(14-19-11-12-34-29(19)39)27(38)17-44-32(42)21-8-5-4-7-20(21)16-33/h4-10,15,18-19,24-25,35H,11-14,17H2,1-3H3,(H,34,39)(H,36,40)(H,37,41)/t19-,24-,25-/m0/s1
Definition date:2020-06-19
Last modified:2024-09-27
Release date:2020-07-08
Identifier:(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate
T44
T44
Name:3,5,3',5'-TETRAIODO-L-THYRONINE
Formula:C15 H11 I4 N O4
SMILES:O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2
InChi:InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
PVS
PVS
Name:(ethenylsulfonyl)benzene
Formula:C8 H8 O2 S
SMILES:ethenyl phenyl sulfone
InChi:InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
Synonyms:Phenyl Vinyl Sulphone
Definition date:2008-07-15
Last modified:2024-09-27
Identifier:(ethenylsulfonyl)benzene
4JS
4JS
Name:N-(quinolin-3-yl)propanamide
Formula:C12 H12 N2 O
SMILES:n1c2ccccc2cc(c1)NC(CC)=O
InChi:InChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15)
Synonyms:N-(quinolin-3-yl)prop-2-enamide, bound form
Definition date:2015-03-23
Last modified:2024-09-27
Release date:2015-08-12
Identifier:N-(quinolin-3-yl)propanamide
YDL
YDL
Name:N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Formula:C21 H32 F3 N5 O5
SMILES:FC(F)(F)C1CC(C(=O)NC(C=N)CC2CCNC2=O)N(C1)C(=O)C(NC(=O)OC)C(C)(C)C
InChi:InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1
Synonyms:Ibuzatrelvir, bound form
Definition date:2023-12-01
Last modified:2024-09-27
Release date:2024-05-15
Identifier:N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
ZTK
ZTK
Name:(2S)-2-amino-3-cyanopropanoic acid
Formula:C4 H6 N2 O2
SMILES:N#CCC(N)C(=O)O
InChi:InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
Definition date:2023-03-30
Last modified:2024-09-27
Release date:2023-06-21
Identifier:(2S)-2-amino-3-cyanopropanoic acid
YDM
YDM
Name:1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
Formula:C15 H17 N O
SMILES:CCC(=O)c1ccc2cc(ccc2c1)N(C)C
InChi:InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3
Synonyms:acrylodan, bound form
Definition date:2023-01-26
Last modified:2024-09-27
Release date:2023-08-30
Identifier:1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one

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