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OGM

OGM
Name:	methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Formula:	C10 H17 N3 O3
SMILES:	COC(=O)NCCCCc1nc(CO)cn1
InChi:	InChI=1S/C10H17N3O3/c1-16-10(15)11-5-3-2-4-9-12-6-8(7-14)13-9/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)
Definition date:	2019-06-24
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate

OGY

OGY
Name:	[2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol
Formula:	C13 H16 N2 O
SMILES:	c1(ccccc1)CCCc2ncc(CO)n2
InChi:	InChI=1S/C13H16N2O/c16-10-12-9-14-13(15-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2,(H,14,15)
Definition date:	2019-06-24
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	[2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol

OH1

OH1
Name:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide
Formula:	C15 H19 N3 O2
SMILES:	C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2
InChi:	InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18)
Definition date:	2019-06-24
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide

OH4

OH4
Name:	{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
Formula:	C14 H18 N2 O2
SMILES:	n2c(CCC(c1ccccc1)OC)nc(c2)CO
InChi:	InChI=1S/C14H18N2O2/c1-18-13(11-5-3-2-4-6-11)7-8-14-15-9-12(10-17)16-14/h2-6,9,13,17H,7-8,10H2,1H3,(H,15,16)/t13-/m0/s1
Definition date:	2019-06-24
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol

OH7

OH7
Name:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide
Formula:	C10 H17 N3 O2
SMILES:	C(NC(C)=O)CCCc1ncc(CO)n1
InChi:	InChI=1S/C10H17N3O2/c1-8(15)11-5-3-2-4-10-12-6-9(7-14)13-10/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)
Definition date:	2019-06-24
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide

OHV

OHV
Name:	benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Formula:	C16 H21 N3 O3
SMILES:	C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2
InChi:	InChI=1S/C16H21N3O3/c20-11-14-10-18-15(19-14)8-4-5-9-17-16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,10,20H,4-5,8-9,11-12H2,(H,17,21)(H,18,19)
Definition date:	2019-06-25
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate

OJG

OJG
Name:	N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
Formula:	C16 H21 N3 O2
SMILES:	C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2
InChi:	InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19)
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide

OJJ

OJJ
Name:	methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Formula:	C17 H23 N3 O3
SMILES:	OCc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2
InChi:	InChI=1S/C17H23N3O3/c1-23-17(22)20(12-14-7-3-2-4-8-14)10-6-5-9-16-18-11-15(13-21)19-16/h2-4,7-8,11,21H,5-6,9-10,12-13H2,1H3,(H,18,19)
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate

OJM

OJM
Name:	ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate
Formula:	C9 H14 N2 O3
SMILES:	c1c(nc(CCC(=O)OCC)n1)CO
InChi:	InChI=1S/C9H14N2O3/c1-2-14-9(13)4-3-8-10-5-7(6-12)11-8/h5,12H,2-4,6H2,1H3,(H,10,11)
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate

OJP

OJP
Name:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide
Formula:	C11 H17 N3 O2
SMILES:	c1c(nc(CCCCNC(/C=C)=O)n1)CO
InChi:	InChI=1S/C11H17N3O2/c1-2-11(16)12-6-4-3-5-10-13-7-9(8-15)14-10/h2,7,15H,1,3-6,8H2,(H,12,16)(H,13,14)
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide

OJY

OJY
Name:	5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline
Formula:	C9 H15 N3 O3
SMILES:	C(c1nc(CO)cn1)CCC(C(=O)O)N
InChi:	InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline

OK4

OK4
Name:	N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide
Formula:	C19 H32 N6 O5
SMILES:	C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)CCCc1nc(CO)cn1
InChi:	InChI=1S/C19H32N6O5/c1-10(2)16(17(20)28)25-19(30)14(24-18(29)11(3)22-12(4)27)6-5-7-15-21-8-13(9-26)23-15/h8,10-11,14,16,26H,5-7,9H2,1-4H3,(H2,20,28)(H,21,23)(H,22,27)(H,24,29)(H,25,30)/t11-,14-,16-/m0/s1
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide

Q54

Q54
Name:	(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid
Formula:	C24 H26 Cl N O3
SMILES:	c5c(Cl)cc4CCCC2(COc1ccc(cc1N(C2)CC3CCC3)C(O)=O)c4c5
InChi:	InChI=1S/C24H26ClNO3/c25-19-7-8-20-17(11-19)5-2-10-24(20)14-26(13-16-3-1-4-16)21-12-18(23(27)28)6-9-22(21)29-15-24/h6-9,11-12,16H,1-5,10,13-15H2,(H,27,28)/t24-/m0/s1
Definition date:	2019-09-23
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid

Q57

Q57
Name:	(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
Formula:	C25 H28 Cl N O4
SMILES:	c5c(Cl)cc4c(C2(COc1ccc(C(O)C(O)=O)cc1N(C2)CC3CCC3)CCC4)c5
InChi:	InChI=1S/C25H28ClNO4/c26-19-7-8-20-17(11-19)5-2-10-25(20)14-27(13-16-3-1-4-16)21-12-18(23(28)24(29)30)6-9-22(21)31-15-25/h6-9,11-12,16,23,28H,1-5,10,13-15H2,(H,29,30)/t23-,25+/m1/s1
Definition date:	2019-09-23
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid

MLQ

MLQ
Name:	(2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid
Formula:	C21 H22 Cl2 N2 O4 S3
SMILES:	CCCCCC[CH](Sc1sc2cc(N[S](=O)(=O)c3ccc(Cl)cc3Cl)ccc2n1)C(O)=O
InChi:	InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1
Definition date:	2019-10-18
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid

AW6

AW6
Name:	4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide
Formula:	C20 H12 Cl N O6 S
SMILES:	N(S(=O)(=O)c1ccc(cc1)Cl)c4cc3C(c2ccccc2C(c3c(c4O)O)=O)=O
InChi:	InChI=1S/C20H12ClNO6S/c21-10-5-7-11(8-6-10)29(27,28)22-15-9-14-16(20(26)19(15)25)18(24)13-4-2-1-3-12(13)17(14)23/h1-9,22,25-26H
Definition date:	2018-11-27
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide

T3D

T3D
Name:	(~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid
Formula:	C27 H42 N7 O19 P3 S
SMILES:	CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC=CCC(O)=O
InChi:	InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h3-4,13-15,20-22,26,39-40H,5-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b4-3+/t15-,20-,21-,22+,26-/m1/s1
Definition date:	2019-08-19
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid

B0C

B0C
Name:	N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide
Formula:	C24 H35 N5 O3
SMILES:	N1(CCN(C)CC1)CC(Nc2ccc(c(c2)C3=NC(CC)=C(CC)C(N3)=O)OCCC)=O
InChi:	InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31)
Definition date:	2018-12-13
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide

RSP

RSP
Name:	4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2(1H)-thione
Formula:	C9 H14 N3 O7 P S
SMILES:	NC1=NC(=S)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(21)11-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H2,10,11,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Definition date:	2010-01-11
Last modified:	2019-12-05
Identifier:	[(2R,3S,4R,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

L6K

L6K
Name:	(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
Formula:	C16 H20 N2 O4
SMILES:	CN[CH](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O
InChi:	InChI=1S/C16H20N2O4/c1-18-15(16(19)20)7-11-2-4-13(5-3-11)21-9-12-6-14(8-17)22-10-12/h2-6,10,15,18H,7-9,17H2,1H3,(H,19,20)/t15-/m0/s1
Definition date:	2019-07-23
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid

L74

L74
Name:	3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine
Formula:	C18 H19 Cl N4
SMILES:	c2cc1c(cnc1nc2)CN3CCN(CC3)c4ccc(Cl)cc4
InChi:	InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Definition date:	2018-11-21
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine

CKO

CKO
Name:	E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
Formula:	C32 H31 N5 O3
SMILES:	CN(C)CC=CC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5
InChi:	InChI=1S/C32H31N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-17,19,21,26,38H,18,20H2,1-2H3,(H,35,39)(H,33,34,36)/b17-10+/t26-/m1/s1
Definition date:	2019-05-08
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(~{E})-4-(dimethylamino)-~{N}-[3-[4-[[(1~{S})-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

GRH

GRH
Name:	(2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide
Formula:	C21 H19 Cl N2 O4 S
SMILES:	C[CH](C(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3
InChi:	InChI=1S/C21H19ClN2O4S/c1-14(15-6-3-2-4-7-15)21(25)24-17-10-11-19(20(13-17)29(23,26)27)28-18-9-5-8-16(22)12-18/h2-14H,1H3,(H,24,25)(H2,23,26,27)/t14-/m1/s1
Definition date:	2018-10-05
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide

E33

E33
Name:	(8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
Formula:	C19 H28 N2 O3 S
SMILES:	CC[S](=O)(=O)N1CCC[CH]2CN3CCc4cc(OC)ccc4[CH]3C[CH]12
InChi:	InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19-/m1/s1
Definition date:	2019-10-03
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine

E39

E39
Name:	(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole
Formula:	C14 H16 F N3
SMILES:	CC(C)N1[CH](Cc2c(F)cccc12)c3[nH]cnc3
InChi:	InChI=1S/C14H16FN3/c1-9(2)18-13-5-3-4-11(15)10(13)6-14(18)12-7-16-8-17-12/h3-5,7-9,14H,6H2,1-2H3,(H,16,17)/t14-/m0/s1
Definition date:	2019-10-03
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole

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