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84W
84W
Name:[7-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium
Formula:C13 H14 N5 O
SMILES:Cn1cc(cn1)c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:InChI=1S/C13H13N5O/c1-18-7-9(6-15-18)8-2-3-10-11(4-8)12(5-14)16-17-13(10)19/h2-4,6-7H,5,14H2,1H3,(H,17,19)/p+1
Definition date:2021-09-04
Last modified:2022-01-21
Release date:2022-01-26
Identifier:[7-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium
85E
85E
Name:{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium
Formula:C24 H18 F N6 O
SMILES:N#Cc1c2ccccc2cc(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:InChI=1S/C24H17FN6O/c1-31-23(22-18(10-26)15-5-3-2-4-13(15)9-20(22)25)19(12-28-31)14-6-7-16-17(8-14)21(11-27)29-30-24(16)32/h2-9,12H,11,27H2,1H3,(H,30,32)/p+1
Definition date:2021-09-04
Last modified:2022-01-21
Release date:2022-01-26
Identifier:{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium
85K
85K
Name:(7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium
Formula:C23 H19 Cl F N6 O2
SMILES:N#Cc1c(OC2CC2)cc(Cl)c(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)/p+1
Definition date:2021-09-04
Last modified:2022-01-21
Release date:2022-01-26
Identifier:(7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium
62S
62S
Name:[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
Formula:C31 H35 N4 O6 P
SMILES:N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2onc(c2)c3ccccc3O)C(=O)N[CH](Cc4ccccc4)C(N)=O
InChi:InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1
Definition date:2021-07-23
Last modified:2022-01-21
Release date:2022-01-26
Identifier:[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
674
674
Name:6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Formula:C15 H10 O5
SMILES:O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)c(O)c3
InChi:InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
Definition date:2007-08-28
Last modified:2022-01-21
Release date:2022-01-26
Identifier:6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
7OO
7OO
Name:[(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
Formula:C37 H44 N3 O4 P
SMILES:CC(C)C[CH](NC(=O)[CH](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)C[P](O)(=O)[CH](N)CCc4ccccc4)C(N)=O
InChi:InChI=1S/C37H44N3O4P/c1-26(2)20-34(36(39)41)40-37(42)33(25-45(43,44)35(38)19-18-27-12-6-3-7-13-27)23-28-21-31(29-14-8-4-9-15-29)24-32(22-28)30-16-10-5-11-17-30/h3-17,21-22,24,26,33-35H,18-20,23,25,38H2,1-2H3,(H2,39,41)(H,40,42)(H,43,44)/t33-,34+,35-/m1/s1
Definition date:2021-08-12
Last modified:2022-01-21
Release date:2022-01-26
Identifier:[(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
HJO
HJO
Name:N-[(1R,2R,3R,4S,5S)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2R,3R,4R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide
Formula:C21 H41 N5 O8
SMILES:CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3O[CH](CN)CC[CH]3N)[CH](N)C[CH]2NC(C)=O
InChi:InChI=1S/C21H41N5O8/c1-9(27)26-13-6-12(24)16(33-19-11(23)5-4-10(7-22)32-19)14(28)17(13)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11+,12-,13+,14+,15+,16-,17+,18+,19+,20+,21-/m0/s1
Definition date:2021-01-15
Last modified:2022-01-21
Release date:2022-01-26
Identifier:~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S})-4-[(2~{R},3~{R},6~{S})-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2~{R},3~{R},4~{R})-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide
HQ0
HQ0
Name:1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
Formula:C9 H12 N2 O2
SMILES:Cc1cnc(n1CCC=C)C(O)=O
InChi:InChI=1S/C9H12N2O2/c1-3-4-5-11-7(2)6-10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)
Definition date:2021-01-26
Last modified:2022-01-21
Release date:2022-01-26
Identifier:1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
HQ3
HQ3
Name:5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
Formula:C12 H12 N2 O2
SMILES:Cc1cnc(n1Cc2ccccc2)C(O)=O
InChi:InChI=1S/C12H12N2O2/c1-9-7-13-11(12(15)16)14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
Definition date:2021-01-27
Last modified:2022-01-21
Release date:2022-01-26
Identifier:5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
HQR
HQR
Name:1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
Formula:C9 H12 N2 O2
SMILES:Cc1cn(CCC=C)c(n1)C(O)=O
InChi:InChI=1S/C9H12N2O2/c1-3-4-5-11-6-7(2)10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)
Definition date:2021-01-27
Last modified:2022-01-21
Release date:2022-01-26
Identifier:1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
HR0
HR0
Name:5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
Formula:C11 H7 N5 O
SMILES:Cc1nn2c3ncccc3c(O)nc2c1C#N
InChi:InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
Definition date:2021-01-28
Last modified:2022-01-21
Release date:2022-01-26
Identifier:4-methyl-8-oxidanyl-2,3,7,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile
91Q
91Q
Name:3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol
Formula:C12 H16 N2 O
SMILES:CN(C)CCc1c[nH]c2cccc(O)c12
InChi:InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
Definition date:2021-12-31
Last modified:2022-01-21
Release date:2022-01-26
Identifier:3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol
93F
93F
Name:(10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene
Formula:C24 H31 N3 O
SMILES:COc1ccccc1CCCN2CC[CH]3[CH](C2)c4cccc5N(C)CCN3c45
InChi:InChI=1S/C24H31N3O/c1-25-15-16-27-21-12-14-26(13-6-8-18-7-3-4-11-23(18)28-2)17-20(21)19-9-5-10-22(25)24(19)27/h3-5,7,9-11,20-21H,6,8,12-17H2,1-2H3/t20-,21-/m0/s1
Definition date:2022-01-01
Last modified:2022-01-21
Release date:2022-01-26
Identifier:(10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene
97L
97L
Name:(2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile
Formula:C22 H16 N6 O S
SMILES:O=C1NN=C(CN)c2cc(ccc12)c1cnn(C)c1c1sc2ccccc2c1C#N
InChi:InChI=1S/C22H16N6OS/c1-28-20(21-16(9-23)13-4-2-3-5-19(13)30-21)17(11-25-28)12-6-7-14-15(8-12)18(10-24)26-27-22(14)29/h2-8,11H,10,24H2,1H3,(H,27,29)
Definition date:2021-10-05
Last modified:2022-01-21
Release date:2022-01-26
Identifier:(2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile
97X
97X
Name:(2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile
Formula:C24 H18 N6 O
SMILES:N#Cc1c2ccccc2ccc1c1n(C)ncc1c1ccc2C(=O)NN=C(CN)c2c1
InChi:InChI=1S/C24H18N6O/c1-30-23(17-8-6-14-4-2-3-5-16(14)20(17)11-25)21(13-27-30)15-7-9-18-19(10-15)22(12-26)28-29-24(18)31/h2-10,13H,12,26H2,1H3,(H,29,31)
Definition date:2021-10-05
Last modified:2022-01-21
Release date:2022-01-26
Identifier:(2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile
EY3
EY3
Name:5-propan-2-yloxy-1H-indole
Formula:C11 H13 N O
SMILES:CC(C)Oc1ccc2[nH]ccc2c1
InChi:InChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3
Definition date:2020-02-18
Last modified:2022-01-21
Release date:2022-01-26
Identifier:5-propan-2-yloxy-1~{H}-indole
UJW
UJW
Name:5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide
Formula:C13 H15 N3 S
SMILES:NCCc1sc(cc1c2ccccc2)C(N)=N
InChi:InChI=1S/C13H15N3S/c14-7-6-11-10(8-12(17-11)13(15)16)9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H3,15,16)
Synonyms:5-(2-aminoethyl)-4-phenylthiophene-2-carboximidamide
Definition date:2021-02-25
Last modified:2022-01-20
Release date:2022-01-12
Identifier:5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide
V4J
V4J
Name:2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
Formula:C18 H32 N2 O5 S
SMILES:C(CCC(OCCOCCCC(CC)O)=O)CC1C2C(CS1)NC(N2)=O
InChi:InChI=1S/C18H32N2O5S/c1-2-13(21)6-5-9-24-10-11-25-16(22)8-4-3-7-15-17-14(12-26-15)19-18(23)20-17/h13-15,17,21H,2-12H2,1H3,(H2,19,20,23)/t13-,14+,15+,17+/m1/s1
Definition date:2020-06-25
Last modified:2022-01-14
Release date:2022-01-19
Identifier:2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
V85
V85
Name:(2R)-N,3-diphenyl-2-sulfanyl-propanamide
Formula:C15 H15 N O S
SMILES:S[CH](Cc1ccccc1)C(=O)Nc2ccccc2
InChi:InChI=1S/C15H15NOS/c17-15(16-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14,18H,11H2,(H,16,17)/t14-/m1/s1
Synonyms:N,3-diphenyl-2-sulfanylpropanamide
Definition date:2021-04-26
Last modified:2022-01-14
Release date:2022-01-19
Identifier:(2~{R})-~{N},3-diphenyl-2-sulfanyl-propanamide
WOV
WOV
Name:2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid
Formula:C13 H13 N O3
SMILES:c1(C)ccc(n1c2ccc(cc2C(O)=O)O)C
InChi:InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)
Definition date:2020-11-02
Last modified:2022-01-14
Release date:2022-01-19
Identifier:2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid
VCW
VCW
Name:[(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
Formula:C9 H18 O10 S
SMILES:OC[CH](O)CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C9H18O10S/c10-1-4(11)2-18-9-8(14)7(13)6(12)5(19-9)3-20(15,16)17/h4-14H,1-3H2,(H,15,16,17)/t4-,5-,6-,7+,8-,9+/m1/s1
Synonyms:sulfoquinovosyl glycerol
Definition date:2021-05-05
Last modified:2022-01-14
Release date:2022-01-19
Identifier:[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{R})-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
ZPJ
ZPJ
Name:cyclopropanecarboxylic acid
Formula:C4 H6 O2
SMILES:O=C(O)C1CC1
InChi:InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
Definition date:2021-05-18
Last modified:2022-01-14
Release date:2022-01-19
Identifier:cyclopropanecarboxylic acid
ZPM
ZPM
Name:cyclobutanecarboxylic acid
Formula:C5 H8 O2
SMILES:O=C(O)C1CCC1
InChi:InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
Definition date:2021-05-18
Last modified:2022-01-14
Release date:2022-01-19
Identifier:cyclobutanecarboxylic acid
ZPS
ZPS
Name:cyclobutane-1,1-dicarboxylic acid
Formula:C6 H8 O4
SMILES:O=C(O)C1(CCC1)C(O)=O
InChi:InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
Definition date:2021-05-18
Last modified:2022-01-14
Release date:2022-01-19
Identifier:cyclobutane-1,1-dicarboxylic acid
XA4
XA4
Name:(20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one
Formula:C30 H38 N8 O2
SMILES:c2c1c6nc(cc(C(=O)N=C5N(CC(C)CCCOc1n(C)n2)c3c(ccc(c3)CN4CCN(CC4)C)N5)c6)C
InChi:InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1
Definition date:2020-12-07
Last modified:2022-01-14
Release date:2022-01-19
Identifier:(5aE,20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(5H)-one

223790

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