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NTG

NTG
Name:	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
Formula:	C11 H13 N3 O
SMILES:	N#Cc2ncc(N1CCCOCC1)cc2
InChi:	InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile

NTV

NTV
Name:	(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
Formula:	C12 H14 Cl N O2
SMILES:	N(C(=O)C1CCCO1)c2cccc(c2C)Cl
InChi:	InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide

NU4

NU4
Name:	2-methyl-N-(pyridin-4-yl)furan-3-carboxamide
Formula:	C11 H10 N2 O2
SMILES:	N(c1ccncc1)C(c2ccoc2C)=O
InChi:	InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-methyl-N-(pyridin-4-yl)furan-3-carboxamide

NUJ

NUJ
Name:	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
Formula:	C11 H17 N3 O
SMILES:	N(c1nc(C)nc(c1)C)(C)C2CC(C2)O
InChi:	InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol

NUM

NUM
Name:	N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
Formula:	C14 H14 N2 O2
SMILES:	N(C(c1ccccn1)=O)CCc2ccc(cc2)O
InChi:	InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

NV7

NV7
Name:	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
Formula:	C10 H16 N2 O3 S
SMILES:	N2(CCN(Cc1occc1)CC2)S(C)(=O)=O
InChi:	InChI=1S/C10H16N2O3S/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine

NVD

NVD
Name:	N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
Formula:	C11 H15 N5
SMILES:	N(C)(C)c2ccc(CNn1cnnc1)cc2
InChi:	InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine

NVJ

NVJ
Name:	ethyl benzylcarbamate
Formula:	C10 H13 N O2
SMILES:	N(Cc1ccccc1)C(=O)OCC
InChi:	InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	ethyl benzylcarbamate

NVM

NVM
Name:	[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone
Formula:	C11 H14 N2 O S
SMILES:	N1(CCC(C)CC=C1)C(=O)c2cscn2
InChi:	InChI=1S/C11H14N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h2,5,7-9H,3-4,6H2,1H3/t9-/m1/s1
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone

NW4

NW4
Name:	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
Formula:	C13 H23 N O2
SMILES:	N1(CCOCC1)C(=O)CCC2CCCCC2
InChi:	InChI=1S/C13H23NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one

NW7

NW7
Name:	3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
Formula:	C11 H13 N3 O3
SMILES:	n2oc(C)c(C(Nc1noc(c1)C)=O)c2CC
InChi:	InChI=1S/C11H13N3O3/c1-4-8-10(7(3)17-13-8)11(15)12-9-5-6(2)16-14-9/h5H,4H2,1-3H3,(H,12,14,15)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

NZM

NZM
Name:	cefixime, bound form
Formula:	C16 H17 N5 O7 S2
SMILES:	OC(=O)CON=C(/C(=O)NC(C=O)C1SCC(=C(N1)C(O)=O)[C@H]=C)c2csc(N)n2
InChi:	InChI=1S/C16H17N5O7S2/c1-2-7-5-29-14(20-11(7)15(26)27)8(3-22)18-13(25)12(21-28-4-10(23)24)9-6-30-16(17)19-9/h2-3,6,8,14,20H,1,4-5H2,(H2,17,19)(H,18,25)(H,23,24)(H,26,27)/b21-12-/t8-,14-/m1/s1
Definition date:	2019-05-30
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-2-oxoethyl]-5-ethenyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

NZV

NZV
Name:	ceftriaxone, bound form
Formula:	C18 H20 N8 O8 S3
SMILES:	O=C(/C(c1csc(N)n1)=NOC)NC(C(O)=O)C2SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C
InChi:	InChI=1S/C18H20N8O8S3/c1-26-18(23-12(28)13(29)24-26)37-4-6-3-35-14(22-8(6)15(30)31)10(16(32)33)21-11(27)9(25-34-2)7-5-36-17(19)20-7/h5,10,14,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,24,29)(H,30,31)(H,32,33)/b25-9-/t10-,14+/m0/s1
Definition date:	2019-05-30
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

HVY

HVY
Name:	N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide
Formula:	C32 H35 Cl N8 O2
SMILES:	CN5CCN(c1ccc(cc1)Nc2nc(c(cn2)C(=O)Nc3c(cccc3C)Cl)Nc4c(cccc4)NC(=O)CC)CC5
InChi:	InChI=1S/C32H35ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h5-15,20H,4,16-19H2,1-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39)
Definition date:	2018-07-26
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide

HWA

HWA
Name:	3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Formula:	C7 H7 N O4
SMILES:	OC(=O)C=1NC(C)=CC(C=1O)=O
InChi:	InChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h2,10H,1H3,(H,8,9)(H,11,12)
Definition date:	2018-07-26
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid

HWJ

HWJ
Name:	3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Formula:	C14 H11 N5 O4
SMILES:	O=C(O)C=1NC(=CC(C=1O)=O)c2ccc(cc2C)c3nnnn3
InChi:	InChI=1S/C14H11N5O4/c1-6-4-7(13-16-18-19-17-13)2-3-8(6)9-5-10(20)12(21)11(15-9)14(22)23/h2-5,21H,1H3,(H,15,20)(H,22,23)(H,16,17,18,19)
Definition date:	2018-07-26
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid

HWM

HWM
Name:	5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one
Formula:	C13 H11 N5 O2
SMILES:	n1nnnc1c2ccc(cc2)N3C(=CC(C(=C3)O)=O)C
InChi:	InChI=1S/C13H11N5O2/c1-8-6-11(19)12(20)7-18(8)10-4-2-9(3-5-10)13-14-16-17-15-13/h2-7,20H,1H3,(H,14,15,16,17)
Definition date:	2018-07-26
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one

HWV

HWV
Name:	N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Formula:	C28 H30 F N3 O4
SMILES:	N2(C)C=C(c1cc(C(NCC)=O)nc1C2=O)c3cc(C(C)(O)C)ccc3Oc4c(cc(F)cc4C)C
InChi:	InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
Definition date:	2018-07-27
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

GK2

GK2
Name:	[(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid
Formula:	C9 H19 B N2 O3
SMILES:	CC(C)[CH](N)C(=O)N1CCC[CH]1B(O)O
InChi:	InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
Definition date:	2018-09-19
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	[(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid

KJ4

KJ4
Name:	N-{3-[(2Z,4S)-1-(2-{[2-(2-amino-1H-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine
Formula:	C24 H46 N10
SMILES:	C(CCC2CN(CCN(C)CCn1ccnc1N)C(=N)N2CCCC3CCCCC3)NC(=N)N
InChi:	InChI=1S/C24H46N10/c1-31(15-17-32-14-12-30-23(32)27)16-18-33-19-21(10-5-11-29-22(25)26)34(24(33)28)13-6-9-20-7-3-2-4-8-20/h12,14,20-21,28H,2-11,13,15-19H2,1H3,(H2,27,30)(H4,25,26,29)/b28-24-/t21-/m0/s1
Definition date:	2018-12-11
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	N-{3-[(2Z,4S)-1-(2-{[2-(2-amino-1H-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine

KJ7

KJ7
Name:	(5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine
Formula:	C10 H13 N3
SMILES:	C=1(N)NC(CN=1)Cc2ccccc2
InChi:	InChI=1S/C10H13N3/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)/t9-/m0/s1
Definition date:	2018-12-11
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	(5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine

KSZ

KSZ
Name:	~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
Formula:	C28 H33 Cl N6 O4
SMILES:	COc1ccc2n3c(C)nnc3[CH](CC(=O)NCCCNC(=O)OC(C)(C)C)N=C(c4ccc(Cl)cc4)c2c1
InChi:	InChI=1S/C28H33ClN6O4/c1-17-33-34-26-22(16-24(36)30-13-6-14-31-27(37)39-28(2,3)4)32-25(18-7-9-19(29)10-8-18)21-15-20(38-5)11-12-23(21)35(17)26/h7-12,15,22H,6,13-14,16H2,1-5H3,(H,30,36)(H,31,37)/t22-/m0/s1
Definition date:	2019-06-20
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate

N0V

N0V
Name:	(3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide
Formula:	C39 H40 N8 O3
SMILES:	C1CC1c2cc(ccn2)c8c7c(ccc(NC(C3(CN(CC3)CC(N4CC=C(CC4)c5ccc(cc5)c6ncccn6)=O)COC)=O)c7)nn8
InChi:	InChI=1S/C39H40N8O3/c1-50-25-39(38(49)43-31-9-10-33-32(22-31)36(45-44-33)30-11-17-40-34(21-30)28-5-6-28)14-20-46(24-39)23-35(48)47-18-12-27(13-19-47)26-3-7-29(8-4-26)37-41-15-2-16-42-37/h2-4,7-12,15-17,21-22,28H,5-6,13-14,18-20,23-25H2,1H3,(H,43,49)(H,44,45)/t39-/m1/s1
Definition date:	2019-04-29
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	(3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide

FL5

FL5
Name:	12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium
Formula:	C25 H31 N8
SMILES:	CCn1nnc2c3ccc(cc3c4n(CC)nnc4c5ccc(cc5c12)N(C)C)[N+](C)(C)C
InChi:	InChI=1S/C25H31N8/c1-8-31-24-20-14-16(30(3)4)10-12-18(20)22-25(32(9-2)29-26-22)21-15-17(33(5,6)7)11-13-19(21)23(24)27-28-31/h10-15H,8-9H2,1-7H3/q+1/b22-18+,23-19+,24-20+,25-21+
Definition date:	2018-07-19
Last modified:	2019-07-26
Release date:	2019-07-31

M9J

M9J
Name:	N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine
Formula:	C34 H45 N5 S
SMILES:	C1C(CCCC1)(N2CCCC2)c3sc(nc3C#CCNCC4CCC4)c6cc5ccn(c5cc6)CC7CCCN7
InChi:	InChI=1S/C34H45N5S/c1-2-16-34(17-3-1,39-20-4-5-21-39)32-30(12-8-18-35-24-26-9-6-10-26)37-33(40-32)28-13-14-31-27(23-28)15-22-38(31)25-29-11-7-19-36-29/h13-15,22-23,26,29,35-36H,1-7,9-11,16-21,24-25H2/t29-/m0/s1
Definition date:	2019-03-28
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine

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