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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
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
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
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
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
L2K
L2K
Name:3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
Formula:C11 H10 F2 N4
SMILES:Fc1ccc(cc1F)C2=NNC3=NCCN3C2
InChi:InChI=1S/C11H10F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-2,5H,3-4,6H2,(H,14,16)
Definition date:2019-07-16
Last modified:2020-04-10
Release date:2020-04-15
Identifier:3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
L3Q
L3Q
Name:(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
Formula:C6 H10 N2 O2
SMILES:O=C1OC[CH]2CNCCN12
InChi:InChI=1S/C6H10N2O2/c9-6-8-2-1-7-3-5(8)4-10-6/h5,7H,1-4H2/t5-/m0/s1
Definition date:2019-07-18
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
QKP
QKP
Name:2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one
Formula:C27 H34 N2 O6
SMILES:c2(OCC(CN1CCN(CC1)C)O)c(cc(cc2C)C3=CC(c4c(cc(cc4O3)OC)OC)=O)C
InChi:InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
Definition date:2019-11-08
Last modified:2020-04-10
Release date:2020-04-15
Identifier:2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one
S6V
S6V
Name:1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
Formula:C13 H17 N3 O2
SMILES:O=C(NCCN1CCCC1=O)Nc2ccccc2
InChi:InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
Definition date:2020-03-04
Last modified:2020-04-10
Release date:2020-04-15
Identifier:1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
MU7
MU7
Name:N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
Formula:C20 H19 I N2 O4
SMILES:Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O
InChi:InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
Definition date:2019-04-16
Last modified:2020-04-10
Release date:2020-04-15
Identifier:N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
OS8
OS8
Name:(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Formula:C24 H30 N4 O3
SMILES:COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
Definition date:2020-04-01
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Q1Y
Q1Y
Name:5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide
Formula:C28 H27 F N4 O4
SMILES:c6(OCC1C(CCNC1)c2ccc(c(c2)C(NCc4c3c(cccc3)nn4)=O)F)cc5c(OCO5)cc6
InChi:InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1
Definition date:2019-09-06
Last modified:2020-04-10
Release date:2020-04-15
Identifier:5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide
Q8D
Q8D
Name:1-cyclohexyl-1H-benzotriazole-5-carboxylic acid
Formula:C13 H15 N3 O2
SMILES:c12cc(C(O)=O)ccc1n(nn2)C3CCCCC3
InChi:InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)
Definition date:2019-10-02
Last modified:2020-04-10
Release date:2020-04-15
Identifier:1-cyclohexyl-1H-benzotriazole-5-carboxylic acid
Q8G
Q8G
Name:1-cyclohexyl-1H-benzimidazole-5-carboxylic acid
Formula:C14 H16 N2 O2
SMILES:c12ncn(c1ccc(C(O)=O)c2)C3CCCCC3
InChi:InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18)
Definition date:2019-10-02
Last modified:2020-04-10
Release date:2020-04-15
Identifier:1-cyclohexyl-1H-benzimidazole-5-carboxylic acid
Q8M
Q8M
Name:5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:C14 H15 Br Cl N3 O3 S
SMILES:C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3
InChi:InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2
Definition date:2019-10-03
Last modified:2020-04-10
Release date:2020-04-15
Identifier:5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Q8P
Q8P
Name:4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide
Formula:C16 H18 Br Cl N4 O4 S
SMILES:C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C(NC)=O
InChi:InChI=1S/C16H18BrClN4O4S/c1-19-16(24)15-20-13(8-22(15)10-4-2-3-5-10)21-27(25,26)12-7-9(17)6-11(18)14(12)23/h6-8,10,21,23H,2-5H2,1H3,(H,19,24)
Definition date:2019-10-03
Last modified:2020-04-10
Release date:2020-04-15
Identifier:4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide

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