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VQS
VQS
Name:N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea
Formula:C24 H31 N5 O4 S2
SMILES:C1C(C1)S(C5(c3cc(nc(c2ccc(cc2)NC(=S)NCCO)n3)N4C(C)COCC4)CC5)(=O)=O
InChi:InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1
Definition date:2020-09-08
Last modified:2021-09-17
Release date:2021-09-22
Identifier:N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea
UJ2
UJ2
Name:2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
Formula:C22 H18 N2 O3
SMILES:CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)c4ccccc4
InChi:InChI=1S/C22H18N2O3/c1-27-20(16-9-7-15(8-10-16)14-5-3-2-4-6-14)21-23-18-12-11-17(22(25)26)13-19(18)24-21/h2-13,20H,1H3,(H,23,24)(H,25,26)/t20-/m0/s1
Definition date:2021-02-23
Last modified:2021-09-17
Release date:2021-09-22
Identifier:2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
UJ5
UJ5
Name:2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
Formula:C19 H20 N2 O3
SMILES:CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)C(C)C
InChi:InChI=1S/C19H20N2O3/c1-11(2)12-4-6-13(7-5-12)17(24-3)18-20-15-9-8-14(19(22)23)10-16(15)21-18/h4-11,17H,1-3H3,(H,20,21)(H,22,23)/t17-/m0/s1
Definition date:2021-02-23
Last modified:2021-09-17
Release date:2021-09-22
Identifier:2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
UJ8
UJ8
Name:(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
Formula:C17 H18 N2 O
SMILES:CC(C)c1ccc(cc1)[CH](O)c2[nH]c3ccccc3n2
InChi:InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16(20)17-18-14-5-3-4-6-15(14)19-17/h3-11,16,20H,1-2H3,(H,18,19)/t16-/m0/s1
Definition date:2021-02-23
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
X7Y
X7Y
Name:2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:C25 H29 N7 O2
SMILES:n3c(Nc2c(cc(N1CCN(C)CC1)cc2)OC)ncc4c3N(C)c5c(C(N4C)=O)cccc5
InChi:InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)
Definition date:2020-12-03
Last modified:2021-09-17
Release date:2021-09-22
Identifier:2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
UK5
UK5
Name:1-oxidanylquinolin-4-one
Formula:C9 H7 N O2
SMILES:ON1C=CC(=O)c2ccccc12
InChi:InChI=1S/C9H7NO2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
Definition date:2021-02-26
Last modified:2021-09-17
Release date:2021-09-22
Identifier:1-oxidanylquinolin-4-one
Y5J
Y5J
Name:4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:C15 H11 Cl N4 O3
SMILES:c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)occ4
InChi:InChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21)
Definition date:2020-05-20
Last modified:2021-09-17
Release date:2021-09-22
Identifier:4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Y5L
Y5L
Name:4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:C16 H15 Cl N4 O2
SMILES:c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)CCC4
InChi:InChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22)
Definition date:2020-05-20
Last modified:2021-09-17
Release date:2021-09-22
Identifier:4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Y5M
Y5M
Name:7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one
Formula:C17 H18 N4 O2
SMILES:Cc1nc4c(c(n1)N3c2ccc(cc2NC(C3)=O)OC)CCC4
InChi:InChI=1S/C17H18N4O2/c1-10-18-13-5-3-4-12(13)17(19-10)21-9-16(22)20-14-8-11(23-2)6-7-15(14)21/h6-8H,3-5,9H2,1-2H3,(H,20,22)
Definition date:2020-05-20
Last modified:2021-09-17
Release date:2021-09-22
Identifier:7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one
X8J
X8J
Name:5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:C26 H31 N7 O2
SMILES:n3c(Nc2c(cc(N1CCN(C)CC1)cc2)OC)ncc4c3N(C)c5c(C(N4CC)=O)cccc5
InChi:InChI=1S/C26H31N7O2/c1-5-33-22-17-27-26(29-24(22)31(3)21-9-7-6-8-19(21)25(33)34)28-20-11-10-18(16-23(20)35-4)32-14-12-30(2)13-15-32/h6-11,16-17H,5,12-15H2,1-4H3,(H,27,28,29)
Definition date:2020-12-03
Last modified:2021-09-17
Release date:2021-09-22
Identifier:5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
5VI
5VI
Name:(2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
Formula:C20 H36 N O10 P
SMILES:CCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCC=C
InChi:InChI=1S/C20H36NO10P/c1-3-5-6-7-8-9-10-12-19(23)31-16(13-28-18(22)11-4-2)14-29-32(26,27)30-15-17(21)20(24)25/h3,16-17H,1,4-15,21H2,2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1
Definition date:2021-08-24
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(2~{S})-2-azanyl-3-[[(2~{S})-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
XPJ
XPJ
Name:1-deoxy-1-(methylamino)-D-allitol
Formula:C7 H17 N O5
SMILES:C(C(O)CO)(C(C(CNC)O)O)O
InChi:InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1
Synonyms:N-Methyl-D-glucamine
Definition date:2020-12-23
Last modified:2021-09-17
Release date:2021-09-22
Identifier:1-deoxy-1-(methylamino)-D-allitol
ULW
ULW
Name:[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
Formula:C22 H35 N O4
SMILES:CC(C)CCCC(C)=CCCC(C)=CCOC(=O)CCN1C(=O)CCC1=O
InChi:InChI=1S/C22H35NO4/c1-17(2)7-5-8-18(3)9-6-10-19(4)14-16-27-22(26)13-15-23-20(24)11-12-21(23)25/h9,14,17H,5-8,10-13,15-16H2,1-4H3/b18-9-,19-14-
Definition date:2021-03-01
Last modified:2021-09-17
Release date:2021-09-22
Identifier:[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
XPS
XPS
Name:6-deoxy-6-(methylamino)-D-galactitol
Formula:C7 H17 N O5
SMILES:C(C(O)CO)(C(C(O)CNC)O)O
InChi:InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1
Definition date:2020-12-23
Last modified:2021-09-17
Release date:2021-09-22
Identifier:6-deoxy-6-(methylamino)-D-galactitol
U8N
U8N
Name:4-oxidanyl-2~{H}-isoquinolin-1-one
Formula:C9 H7 N O2
SMILES:OC1=CNC(=O)c2ccccc12
InChi:InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-5,11H,(H,10,12)
Definition date:2021-02-02
Last modified:2021-09-17
Release date:2021-09-22
Identifier:4-oxidanyl-2~{H}-isoquinolin-1-one
TG2
TG2
Name:4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
Formula:C18 H17 N O4
SMILES:OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)c3ccccc3
InChi:InChI=1S/C18H17NO4/c20-17(21)16-10-15(11-19-16)23-18(22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m1/s1
Definition date:2020-12-22
Last modified:2021-09-17
Release date:2021-09-22
Identifier:4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
87N
87N
Name:[(2~{R},3~{R},4~{S},5~{S},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:C18 H29 N3 O15 P2
SMILES:CC1=CN(C(=O)NC1=O)C1CC(O)C(O1)COP(=O)(O)OP(=O)(O)OC1OC(C)C(O)C(NC(C)=O)C1O
InChi:InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14-,15-,17-/m1/s1
Definition date:2021-09-09
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(2R,3R,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
87Z
87Z
Name:[(2~{R},3~{R},4~{S},5~{R},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:C18 H29 N3 O15 P2
SMILES:CC1=CN(C(=O)NC1=O)C1CC(O)C(O1)COP(=O)(O)OP(=O)(O)OC1OC(C)C(O)C(NC(C)=O)C1O
InChi:InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1
Definition date:2021-09-09
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
89W
89W
Name:N-[(3R)-piperidin-3-yl]benzamide
Formula:C12 H16 N2 O
SMILES:O=C(NC1CCCNC1)c1ccccc1
InChi:InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m1/s1
Definition date:2021-09-14
Last modified:2021-09-17
Release date:2021-09-22
Identifier:N-[(3R)-piperidin-3-yl]benzamide
8AB
8AB
Name:(3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine
Formula:C11 H17 N3
SMILES:Cc1nc(ccc1)N1CC(C)NCC1
InChi:InChI=1S/C11H17N3/c1-9-4-3-5-11(13-9)14-7-6-12-10(2)8-14/h3-5,10,12H,6-8H2,1-2H3/t10-/m0/s1
Definition date:2021-09-14
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine
8AK
8AK
Name:N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide
Formula:C11 H16 N2 O2
SMILES:Cc1cc(no1)C(=O)N(C1CC1)C(C)C
InChi:InChI=1S/C11H16N2O2/c1-7(2)13(9-4-5-9)11(14)10-6-8(3)15-12-10/h6-7,9H,4-5H2,1-3H3
Definition date:2021-09-14
Last modified:2021-09-17
Release date:2021-09-22
Identifier:N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide
8B2
8B2
Name:(1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine
Formula:C12 H18 N2 O
SMILES:CC(N)c1ccc(cc1)N1CCOCC1
InChi:InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1
Definition date:2021-09-14
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine
8BC
8BC
Name:2-acetamido-6-fluorobenzoic acid
Formula:C9 H8 F N O3
SMILES:O=C(C)Nc1cccc(F)c1C(=O)O
InChi:InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
Definition date:2021-09-14
Last modified:2021-09-17
Release date:2021-09-22
Identifier:2-acetamido-6-fluorobenzoic acid
8BI
8BI
Name:(1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine
Formula:C12 H21 N3
SMILES:CC1(C)CC(NCc2cc[NH]n2)C(C)C1
InChi:InChI=1S/C12H21N3/c1-9-6-12(2,3)7-11(9)13-8-10-4-5-14-15-10/h4-5,9,11,13H,6-8H2,1-3H3,(H,14,15)/t9-,11-/m1/s1
Definition date:2021-09-14
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine
7AI
7AI
Name:(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Formula:C33 H35 F3 N2 O6 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCN2CCCCC2)cc1
InChi:InChI=1S/C33H35F3N2O6S/c34-33(35,36)21-38(24-8-14-27(15-9-24)43-19-18-37-16-2-1-3-17-37)45(41,42)29-20-28-30(22-4-10-25(39)11-5-22)31(32(29)44-28)23-6-12-26(40)13-7-23/h4-15,28-29,32,39-40H,1-3,16-21H2/t28-,29+,32+/m0/s1
Definition date:2021-08-11
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

223790

건을2024-08-14부터공개중

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