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YAU
YAU
Name:N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide
Formula:C29 H29 Cl2 F N2 O4
SMILES:O=C(N3CC(c2ccc(Cl)c(NC(=O)Cc1ccc(F)cc1)c2)C(CO)C3)CC(O)Cc4ccc(Cl)cc4
InChi:InChI=1S/C29H29Cl2FN2O4/c30-22-6-1-18(2-7-22)11-24(36)14-29(38)34-15-21(17-35)25(16-34)20-5-10-26(31)27(13-20)33-28(37)12-19-3-8-23(32)9-4-19/h1-10,13,21,24-25,35-36H,11-12,14-17H2,(H,33,37)/t21-,24-,25-/m1/s1
Definition date:2014-04-14
Last modified:2014-09-26
Release date:2014-10-01
Identifier:N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide
RRM
RRM
Name:(2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
Formula:C32 H48 O7
SMILES:O=C(O)C=CC(C)C(O)/C=C/C(=C/CC2OC1(OC(C=CC(=CC(=O)O)C)C(CC1)CCCC)CCC2C)C
InChi:InChI=1S/C32H48O7/c1-6-7-8-26-18-20-32(39-29(26)15-11-23(3)21-31(36)37)19-17-25(5)28(38-32)14-10-22(2)9-13-27(33)24(4)12-16-30(34)35/h9-13,15-16,21,24-29,33H,6-8,14,17-20H2,1-5H3,(H,34,35)(H,36,37)/b13-9+,15-11+,16-12+,22-10+,23-21+/t24-,25-,26-,27-,28+,29-,32-/m0/s1
Definition date:2014-06-13
Last modified:2014-09-26
Release date:2014-10-01
Identifier:(2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
1PO
1PO
Name:N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide
Formula:C30 H45 N O7
SMILES:O=CN(C=CCC(OC)C(C(=O)C=CC(C)C(OC)C(C1OC(OCC1C)c2ccc(OC)cc2)C)C)C
InChi:InChI=1S/C30H45NO7/c1-20(11-16-26(33)22(3)27(35-7)10-9-17-31(5)19-32)28(36-8)23(4)29-21(2)18-37-30(38-29)24-12-14-25(34-6)15-13-24/h9,11-17,19-23,27-30H,10,18H2,1-8H3/b16-11+,17-9+/t20-,21-,22-,23-,27+,28-,29-,30-/m0/s1
Definition date:2013-04-23
Last modified:2014-09-26
Release date:2014-10-01
Identifier:N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide
A6M
A6M
Name:(3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
Formula:C21 H24 Cl2 N2 O2
SMILES:O=C(N2CC(c1ccc(Cl)cc1)C(CO)C2)CC(N)Cc3ccc(Cl)cc3
InChi:InChI=1S/C21H24Cl2N2O2/c22-17-5-1-14(2-6-17)9-19(24)10-21(27)25-11-16(13-26)20(12-25)15-3-7-18(23)8-4-15/h1-8,16,19-20,26H,9-13,24H2/t16-,19+,20-/m0/s1
Definition date:2014-04-14
Last modified:2014-09-26
Release date:2014-10-01
Identifier:(3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
37B
37B
Name:(2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
Formula:C19 H24 N O4 P
SMILES:O=C(O)C(CP(=O)(O)C(N)CCc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18-/m1/s1
Definition date:2014-06-27
Last modified:2014-09-26
Release date:2014-10-01
Identifier:(2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
3BW
3BW
Name:4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
Formula:C19 H20 Cl N O4 S
SMILES:Clc3ccc(Oc2ccc(SCC1(C(=O)NO)CCOCC1)cc2)cc3
InChi:InChI=1S/C19H20ClNO4S/c20-14-1-3-15(4-2-14)25-16-5-7-17(8-6-16)26-13-19(18(22)21-23)9-11-24-12-10-19/h1-8,23H,9-13H2,(H,21,22)
Definition date:2014-07-21
Last modified:2014-09-26
Release date:2014-10-01
Identifier:4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
3BX
3BX
Name:N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide
Formula:C26 H30 N2 O5
SMILES:O=C(NO)C1(CCOCC1)COc4ccc(C#Cc2ccc(cc2)CN3CCOCC3)cc4
InChi:InChI=1S/C26H30N2O5/c29-25(27-30)26(11-15-31-16-12-26)20-33-24-9-7-22(8-10-24)2-1-21-3-5-23(6-4-21)19-28-13-17-32-18-14-28/h3-10,30H,11-20H2,(H,27,29)
Definition date:2014-07-21
Last modified:2014-09-26
Release date:2014-10-01
Identifier:N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide
3K1
3K1
Name:5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one
Formula:C11 H8 N6 O2
SMILES:O=C3C(O)=CN=C(c2ccc(c1nnnn1)cc2)N3
InChi:InChI=1S/C11H8N6O2/c18-8-5-12-9(13-11(8)19)6-1-3-7(4-2-6)10-14-16-17-15-10/h1-5,18H,(H,12,13,19)(H,14,15,16,17)
Definition date:2014-08-28
Last modified:2014-09-26
Release date:2014-10-01
Identifier:5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one
2KK
2KK
Name:N~6~-(4-fluorobenzoyl)-L-lysine
Formula:C13 H17 F N2 O3
SMILES:O=C(c1ccc(F)cc1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C13H17FN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
Definition date:2013-11-21
Last modified:2014-09-26
Release date:2014-10-01
Identifier:N~6~-(4-fluorobenzoyl)-L-lysine
2KP
2KP
Name:N~6~-(4-bromobenzoyl)-L-lysine
Formula:C13 H17 Br N2 O3
SMILES:O=C(c1ccc(Br)cc1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C13H17BrN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
Definition date:2013-11-21
Last modified:2014-09-26
Release date:2014-10-01
Identifier:N~6~-(4-bromobenzoyl)-L-lysine
P2D
P2D
Name:pentane-2,4-dione
Formula:C5 H8 O2
SMILES:O=C(C)CC(=O)C
InChi:InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
Definition date:2013-11-27
Last modified:2014-09-19
Release date:2014-09-24
Identifier:pentane-2,4-dione
WLL
WLL
Name:N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide
Formula:C15 H13 N3 O3 S
SMILES:O=C(C2=Nc1sccc1C(=O)N2)NCc3cccc(OC)c3
InChi:InChI=1S/C15H13N3O3S/c1-21-10-4-2-3-9(7-10)8-16-14(20)12-17-13(19)11-5-6-22-15(11)18-12/h2-7H,8H2,1H3,(H,16,20)(H,17,18,19)
Definition date:2013-01-22
Last modified:2014-09-19
Release date:2014-09-24
Identifier:N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide
NXU
NXU
Name:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:C19 H22 N2 O5 S
SMILES:O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Definition date:2014-09-12
Last modified:2014-09-19
Release date:2014-09-24
Identifier:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
WGG
WGG
Name:N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
Formula:C17 H15 N3 O3
SMILES:O=C(C2=Nc1c(cccc1)C(=O)N2)NCc3cccc(OC)c3
InChi:InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
Definition date:2013-01-22
Last modified:2014-09-19
Release date:2014-09-24
Identifier:N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
2SZ
2SZ
Name:6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
Formula:C32 H29 N7 O2
SMILES:O=C(NO)c1cc(c(nc1)n2c3ccccc3nc2)c6ccc(C#Cc4ccc(nc4)CN5CCN(CC5)C)cc6
InChi:InChI=1S/C32H29N7O2/c1-37-14-16-38(17-15-37)21-27-13-10-24(19-33-27)7-6-23-8-11-25(12-9-23)28-18-26(32(40)36-41)20-34-31(28)39-22-35-29-4-2-3-5-30(29)39/h2-5,8-13,18-20,22,41H,14-17,21H2,1H3,(H,36,40)
Definition date:2014-01-27
Last modified:2014-09-19
Release date:2014-09-24
Identifier:6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
32Q
32Q
Name:(2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
Formula:C20 H27 N2 O4 P
SMILES:O=C(O)C(Cc1ccc(cc1)CN)CP(=O)(O)C(N)CCc2ccccc2
InChi:InChI=1S/C20H27N2O4P/c21-13-17-8-6-16(7-9-17)12-18(20(23)24)14-27(25,26)19(22)11-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14,21-22H2,(H,23,24)(H,25,26)/t18-,19-/m1/s1
Definition date:2014-05-29
Last modified:2014-09-19
Release date:2014-09-24
Identifier:(2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
32R
32R
Name:(2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
Formula:C20 H27 N2 O4 P
SMILES:O=C(O)C(Cc1ccc(cc1)CN)CP(=O)(O)C(N)CCc2ccccc2
InChi:InChI=1S/C20H27N2O4P/c21-13-17-8-6-16(7-9-17)12-18(20(23)24)14-27(25,26)19(22)11-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14,21-22H2,(H,23,24)(H,25,26)/t18-,19+/m0/s1
Definition date:2014-05-29
Last modified:2014-09-19
Release date:2014-09-24
Identifier:(2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
LCD
LCD
Name:{[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
Formula:C19 H16 O7
SMILES:O=C(O)COc3ccc1c(O/C(C1=O)=Cc2ccc(OC)c(OC)c2)c3
InChi:InChI=1S/C19H16O7/c1-23-14-6-3-11(7-16(14)24-2)8-17-19(22)13-5-4-12(9-15(13)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-8-
Definition date:2013-10-03
Last modified:2014-09-19
Release date:2014-09-24
Identifier:{[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
1Q1
1Q1
Name:1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
Formula:C12 H12 F N O3
SMILES:Fc1c(O)ccc(c1)C2=NOC(C2)CC(=O)C
InChi:InChI=1S/C12H12FNO3/c1-7(15)4-9-6-11(14-17-9)8-2-3-12(16)10(13)5-8/h2-3,5,9,16H,4,6H2,1H3/t9-/m1/s1
Definition date:2013-04-23
Last modified:2014-09-19
Release date:2014-09-24
Identifier:1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
377
377
Name:Memantine
Formula:C12 H21 N
SMILES:NC12CC3(CC(C1)(CC(C2)C3)C)C
InChi:InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12-
Definition date:2014-07-01
Last modified:2014-09-19
Release date:2014-09-24
Identifier:(1r,3R,5S,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine
379
379
Name:3-{[(R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(S)-2-benzylpropanoic acid
Formula:C18 H23 N2 O4 P
SMILES:O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2cccnc2
InChi:InChI=1S/C18H23N2O4P/c19-17(9-8-15-7-4-10-20-12-15)25(23,24)13-16(18(21)22)11-14-5-2-1-3-6-14/h1-7,10,12,16-17H,8-9,11,13,19H2,(H,21,22)(H,23,24)/t16-,17-/m1/s1
Definition date:2014-06-27
Last modified:2014-09-19
Release date:2014-09-24
Identifier:(2S)-3-[(S)-[(1R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
37E
37E
Name:[(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid
Formula:C8 H19 N2 O3 P
SMILES:O=P(O)(O)C(N)CNC1CCCCC1
InChi:InChI=1S/C8H19N2O3P/c9-8(14(11,12)13)6-10-7-4-2-1-3-5-7/h7-8,10H,1-6,9H2,(H2,11,12,13)/t8-/m1/s1
Definition date:2014-06-27
Last modified:2014-09-19
Release date:2014-09-24
Identifier:[(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid
3EE
3EE
Name:4-(2-aminophenyl)-2,4-dioxobutanoic acid
Formula:C10 H9 N O4
SMILES:O=C(c1ccccc1N)CC(=O)C(=O)O
InChi:InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)
Definition date:2014-08-12
Last modified:2014-09-19
Release date:2014-09-24
Identifier:4-(2-aminophenyl)-2,4-dioxobutanoic acid
3EX
3EX
Name:3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
Formula:C19 H18 F N3 O4
SMILES:Fc1cc(ccc1Nc2c3c(oc2C(=O)NOCCO)ccnc3)C4CC4
InChi:InChI=1S/C19H18FN3O4/c20-14-9-12(11-1-2-11)3-4-15(14)22-17-13-10-21-6-5-16(13)27-18(17)19(25)23-26-8-7-24/h3-6,9-11,22,24H,1-2,7-8H2,(H,23,25)
Definition date:2014-08-04
Last modified:2014-09-19
Release date:2014-09-24
Identifier:3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
3EY
3EY
Name:8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
Formula:C19 H19 F N4 O3
SMILES:Fc1cc(ccc1Nc2c(ccn3c2cnc3)C(=O)NOCCO)C4CC4
InChi:InChI=1S/C19H19FN4O3/c20-15-9-13(12-1-2-12)3-4-16(15)22-18-14(19(26)23-27-8-7-25)5-6-24-11-21-10-17(18)24/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26)
Definition date:2014-08-04
Last modified:2014-09-19
Release date:2014-09-24
Identifier:8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide

223532

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