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D6Y
D6Y
Name:3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
Formula:C11 H18 N2 O2
SMILES:c1(onc(c1)CC2(N)COC2)C(C)(C)C
InChi:InChI=1S/C11H18N2O2/c1-10(2,3)9-4-8(13-15-9)5-11(12)6-14-7-11/h4H,5-7,12H2,1-3H3
Definition date:2017-10-20
Last modified:2020-04-17
Release date:2020-04-22
Identifier:3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
D74
D74
Name:(1R,2S,3R,4R)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol
Formula:C12 H17 N O2
SMILES:c2c(C1C(C(C(C1)O)O)N)cc(cc2)C
InChi:InChI=1S/C12H17NO2/c1-7-3-2-4-8(5-7)9-6-10(14)12(15)11(9)13/h2-5,9-12,14-15H,6,13H2,1H3/t9-,10-,11-,12-/m1/s1
Definition date:2017-10-20
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1R,2S,3R,4R)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol
D8A
D8A
Name:(1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol
Formula:C11 H21 N O2
SMILES:C2C(C1C(C(C(C1)O)O)N)CCCC2
InChi:InChI=1S/C11H21NO2/c12-10-8(6-9(13)11(10)14)7-4-2-1-3-5-7/h7-11,13-14H,1-6,12H2/t8-,9-,10-,11-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol
D8D
D8D
Name:1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline
Formula:C14 H24 N2 O3
SMILES:C1C(CCCC1)C(N2C(CCC2)C(O)=O)C(=O)NC
InChi:InChI=1S/C14H24N2O3/c1-15-13(17)12(10-6-3-2-4-7-10)16-9-5-8-11(16)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)/t11-,12+/m0/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline
D8J
D8J
Name:2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol
Formula:C12 H15 F N2 O3
SMILES:c1cc(F)ccc1C(=O)NCC2C(O)C(N)CO2
InChi:InChI=1S/C12H15FN2O3/c13-8-3-1-7(2-4-8)12(17)15-5-10-11(16)9(14)6-18-10/h1-4,9-11,16H,5-6,14H2,(H,15,17)/t9-,10-,11+/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol
D8P
D8P
Name:[(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
Formula:C12 H19 N3 O
SMILES:c21CNCCC(N(c1nc(cc2)C)C)CO
InChi:InChI=1S/C12H19N3O/c1-9-3-4-10-7-13-6-5-11(8-16)15(2)12(10)14-9/h3-4,11,13,16H,5-8H2,1-2H3/t11-/m0/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:[(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
D8V
D8V
Name:4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol
Formula:C13 H19 N3 O S
SMILES:C(N(C)CC#C)c2nc(C1(CCNCC1)O)cs2
InChi:InChI=1S/C13H19N3OS/c1-3-8-16(2)9-12-15-11(10-18-12)13(17)4-6-14-7-5-13/h1,10,14,17H,4-9H2,2H3
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol
D97
D97
Name:(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C20 H25 N3 O4
SMILES:O5CCN(C3C4OCC(C(NCc1cc2c(nc1)cccc2)C3O)O4)CC5
InChi:InChI=1S/C20H25N3O4/c24-19-17(22-11-13-9-14-3-1-2-4-15(14)21-10-13)16-12-26-20(27-16)18(19)23-5-7-25-8-6-23/h1-4,9-10,16-20,22,24H,5-8,11-12H2/t16-,17-,18-,19+,20-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
D9D
D9D
Name:(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C16 H24 N2 O6
SMILES:OC2C(C3COC(C2N1CCOCC1)O3)NCc4oc(CO)cc4
InChi:InChI=1S/C16H24N2O6/c19-8-11-2-1-10(23-11)7-17-13-12-9-22-16(24-12)14(15(13)20)18-3-5-21-6-4-18/h1-2,12-17,19-20H,3-9H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
D9M
D9M
Name:(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C16 H23 N3 O4
SMILES:O1CCN(CC1)C3C4OCC(C(NCc2ccncc2)C3O)O4
InChi:InChI=1S/C16H23N3O4/c20-15-13(18-9-11-1-3-17-4-2-11)12-10-22-16(23-12)14(15)19-5-7-21-8-6-19/h1-4,12-16,18,20H,5-10H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
D9S
D9S
Name:2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide
Formula:C23 H29 N5 O2 S
SMILES:c1cc(ccc1)CN(Cc2cc(no2)CC3CNCCC3CC(Nc4nccs4)=O)C
InChi:InChI=1S/C23H29N5O2S/c1-28(15-17-5-3-2-4-6-17)16-21-13-20(27-30-21)11-19-14-24-8-7-18(19)12-22(29)26-23-25-9-10-31-23/h2-6,9-10,13,18-19,24H,7-8,11-12,14-16H2,1H3,(H,25,26,29)/t18-,19-/m0/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide
D9V
D9V
Name:(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C16 H24 N2 O4
SMILES:OC3C(NCc1occc1)C4COC(C3N2CCCCC2)O4
InChi:InChI=1S/C16H24N2O4/c19-15-13(17-9-11-5-4-8-20-11)12-10-21-16(22-12)14(15)18-6-2-1-3-7-18/h4-5,8,12-17,19H,1-3,6-7,9-10H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
D9Y
D9Y
Name:1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
Formula:C18 H31 N3 O4
SMILES:OC3C(NC(=O)NC1CCCCC1)C4COC(C3N2CCCCC2)O4
InChi:InChI=1S/C18H31N3O4/c22-16-14(20-18(23)19-12-7-3-1-4-8-12)13-11-24-17(25-13)15(16)21-9-5-2-6-10-21/h12-17,22H,1-11H2,(H2,19,20,23)/t13-,14-,15-,16+,17-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea (non-preferred name)
DC7
DC7
Name:4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol
Formula:C16 H22 N4 O S
SMILES:c1cc(cnc1)CN(Cc3nc(C2(O)CCNCC2)cs3)C
InChi:InChI=1S/C16H22N4OS/c1-20(10-13-3-2-6-18-9-13)11-15-19-14(12-22-15)16(21)4-7-17-8-5-16/h2-3,6,9,12,17,21H,4-5,7-8,10-11H2,1H3
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol
DD4
DD4
Name:(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
Formula:C13 H14 F N3 O2
SMILES:c1(cc(F)c(C)cc1)c2noc(n2)C3NCC(C3)O
InChi:InChI=1S/C13H14FN3O2/c1-7-2-3-8(4-10(7)14)12-16-13(19-17-12)11-5-9(18)6-15-11/h2-4,9,11,15,18H,5-6H2,1H3/t9-,11-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
DD7
DD7
Name:(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C19 H21 N O3 S
SMILES:c1ccccc1CNC3C2OC(OC2)C(C3O)Sc4ccccc4
InChi:InChI=1S/C19H21NO3S/c21-17-16(20-11-13-7-3-1-4-8-13)15-12-22-19(23-15)18(17)24-14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18-,19-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
DDV
DDV
Name:(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C16 H21 N O3 S
SMILES:c1ccccc1SC2C4OC(C(C2O)NCC3CC3)CO4
InChi:InChI=1S/C16H21NO3S/c18-14-13(17-8-10-6-7-10)12-9-19-16(20-12)15(14)21-11-4-2-1-3-5-11/h1-5,10,12-18H,6-9H2/t12-,13-,14+,15-,16-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
T91
T91
Name:N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
Formula:C14 H19 N3 O
SMILES:n1c(CCNC(C(C)(C)C)=O)nc2c1cccc2
InChi:InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
Definition date:2020-03-16
Last modified:2020-04-17
Release date:2020-04-22
Identifier:N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
C9R
C9R
Name:~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide
Formula:C25 H17 F2 N7 O3 S
SMILES:COc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc6ccccc56)c4F
InChi:InChI=1S/C25H17F2N7O3S/c1-37-25-17-11-15(12-28-24(17)30-31-25)20-13-34(33-29-20)23-18(26)9-10-19(22(23)27)32-38(35,36)21-8-4-6-14-5-2-3-7-16(14)21/h2-13,32H,1H3,(H,28,30,31)
Definition date:2019-04-22
Last modified:2020-04-17
Release date:2020-04-22
Identifier:~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide
U2Y
U2Y
Name:{4-[ethyl(methyl)carbamoyl]phenyl}boronic acid
Formula:C10 H14 B N O3
SMILES:N(C)(CC)C(=O)c1ccc(B(O)O)cc1
InChi:InChI=1S/C10H14BNO3/c1-3-12(2)10(13)8-4-6-9(7-5-8)11(14)15/h4-7,14-15H,3H2,1-2H3
Definition date:2020-04-10
Last modified:2020-04-17
Release date:2020-04-22
Identifier:{4-[ethyl(methyl)carbamoyl]phenyl}boronic acid
G2Y
G2Y
Name:1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside
Formula:C12 H19 Cl3 O8
SMILES:C2(C(C(O)C(OC1(OC(C(O)C1O)CCl)CCl)OC2CO)O)Cl
InChi:InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m0/s1
Definition date:2018-05-03
Last modified:2020-04-16
Release date:2018-08-08
Identifier:1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside
GNA
GNA
Name:2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID
Formula:C12 H22 N4 O7
SMILES:O=C(O)C1OC(C(O)C(O)CO)C(NC(=O)C)C(NC(=[N@H])N)C1
InChi:InChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h5-10,17,19-20H,2-3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,7+,8+,9+,10+/m0/s1
Definition date:1999-07-08
Last modified:2020-04-13
Identifier:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-erythro-L-manno-nononic acid
EDJ
EDJ
Name:2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid
Formula:C21 H21 Br N4 O5
SMILES:c1(c(Br)cnc(n1)Nc2cc(OC)c(OC)c(OC)c2)Oc3ccccc3/C(O)=N/C
InChi:InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
Definition date:2018-01-02
Last modified:2020-04-13
Release date:2018-05-09
Identifier:2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid
NT2
NT2
Name:2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE
Formula:C6 H12 O18 S4
SMILES:O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1
Definition date:2004-04-20
Last modified:2020-04-13
Identifier:2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose
5KU
5KU
Name:(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid
Formula:C18 H31 N5 O10
SMILES:COCCOCCNC(=O)OC(C1C(C(N=C(N)N)C=C(O1)C(O)=O)NC(=O)C)C(CO)O
InChi:InChI=1S/C18H31N5O10/c1-9(25)22-13-10(23-17(19)20)7-12(16(27)28)32-15(13)14(11(26)8-24)33-18(29)21-3-4-31-6-5-30-2/h7,10-11,13-15,24,26H,3-6,8H2,1-2H3,(H,21,29)(H,22,25)(H,27,28)(H4,19,20,23)/t10-,11+,13+,14-,15-/m1/s1
Definition date:2015-10-15
Last modified:2020-04-12
Release date:2016-03-02
Identifier:(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid

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