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LUS

LUS
Name:	4-(4-ethylcyclohexyl)morpholine
Formula:	C12 H23 N O
SMILES:	CC[CH]1CC[CH](CC1)N2CCOCC2
InChi:	InChI=1S/C12H23NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-(4-ethylcyclohexyl)morpholine

LV7

LV7
Name:	~{N}-[2-(aminocarbamoyl)phenyl]ethanamide
Formula:	C9 H11 N3 O2
SMILES:	CC(=O)Nc1ccccc1C(=O)NN
InChi:	InChI=1S/C9H11N3O2/c1-6(13)11-8-5-3-2-4-7(8)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-[2-(aminocarbamoyl)phenyl]ethanamide

LVP

LVP
Name:	~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
Formula:	C10 H8 F N3 O2
SMILES:	Fc1ccccc1NNC(=O)c2oncc2
InChi:	InChI=1S/C10H8FN3O2/c11-7-3-1-2-4-8(7)13-14-10(15)9-5-6-12-16-9/h1-6,13H,(H,14,15)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide

LWD

LWD
Name:	~{N}-quinolin-6-ylbenzamide
Formula:	C16 H12 N2 O
SMILES:	O=C(Nc1ccc2ncccc2c1)c3ccccc3
InChi:	InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-quinolin-6-ylbenzamide

LX4

LX4
Name:	4-cyclopentylcarbonylpiperazin-2-one
Formula:	C10 H16 N2 O2
SMILES:	O=C1CN(CCN1)C(=O)C2CCCC2
InChi:	InChI=1S/C10H16N2O2/c13-9-7-12(6-5-11-9)10(14)8-3-1-2-4-8/h8H,1-7H2,(H,11,13)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-cyclopentylcarbonylpiperazin-2-one

LX7

LX7
Name:	1-[4-(trifluoromethyloxy)phenyl]thiourea
Formula:	C8 H7 F3 N2 O S
SMILES:	NC(=S)Nc1ccc(OC(F)(F)F)cc1
InChi:	InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	1-[4-(trifluoromethyloxy)phenyl]thiourea

LXA

LXA
Name:	~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
Formula:	C11 H13 N3 O2
SMILES:	COCC(=O)NCc1[nH]c2ccccc2n1
InChi:	InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide

LXJ

LXJ
Name:	(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one
Formula:	C15 H16 N2 O2
SMILES:	O=C1NC[CH]2C=CN(CC[CH]12)C(=O)c3ccccc3
InChi:	InChI=1S/C15H16N2O2/c18-14-13-7-9-17(8-6-12(13)10-16-14)15(19)11-4-2-1-3-5-11/h1-6,8,12-13H,7,9-10H2,(H,16,18)/t12-,13+/m1/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one

LXM

LXM
Name:	[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
Formula:	C18 H17 N O3
SMILES:	OC[CH]1CN([CH]2[CH]1Oc3ccccc23)C(=O)c4ccccc4
InChi:	InChI=1S/C18H17NO3/c20-11-13-10-19(18(21)12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)22-17(13)16/h1-9,13,16-17,20H,10-11H2/t13-,16-,17-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone

LXS

LXS
Name:	3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
Formula:	C15 H16 N2 O4
SMILES:	CCN1C(=O)CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=O
InChi:	InChI=1S/C15H16N2O4/c1-2-16-10(18)7-17(15(16)20)11-12(19)14-9-6-4-3-5-8(9)13(11)21-14/h3-6,11-14,19H,2,7H2,1H3/t11-,12-,13-,14+/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione

LZV

LZV
Name:	ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
Formula:	C13 H20 N2 O3
SMILES:	CCOC(=O)[CH]1CN2N(CCC2=O)C13CCCC3
InChi:	InChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate

LZY

LZY
Name:	8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
Formula:	C11 H13 F N2 O
SMILES:	CN1Cc2cc(F)ccc2NCCC1=O
InChi:	InChI=1S/C11H13FN2O/c1-14-7-8-6-9(12)2-3-10(8)13-5-4-11(14)15/h2-3,6,13H,4-5,7H2,1H3
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one

M0D

M0D
Name:	2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide
Formula:	C16 H19 N3 O2
SMILES:	N4(C1CC(c3c(C1)c2c(cccc2)n3)C(C4)O)CC(N)=O
InChi:	InChI=1S/C16H19N3O2/c17-15(21)8-19-7-14(20)12-6-9(19)5-11-10-3-1-2-4-13(10)18-16(11)12/h1-4,9,12,14,18,20H,5-8H2,(H2,17,21)/t9-,12+,14-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide

M16

M16
Name:	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C18 H19 N3
SMILES:	NCCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
InChi:	InChI=1S/C18H19N3/c1-12-10-18(20)21-17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-19/h2-7,10-11H,8-9,19H2,1H3,(H2,20,21)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine

EVU

EVU
Name:	4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one
Formula:	C17 H19 N3 O
SMILES:	NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3
InChi:	InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)15-3-1-2-4-16(15)20-10-9-19-17(21)12-20/h1-8H,9-12,18H2,(H,19,21)
Definition date:	2020-02-06
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one

QFD

QFD
Name:	(3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Formula:	C19 H20 N2 O5
SMILES:	c3c(ccc(CC1C(NC(C(=O)N1)Cc2ccc(O)cc2)=O)c3)OCO
InChi:	InChI=1S/C19H20N2O5/c22-11-26-15-7-3-13(4-8-15)10-17-19(25)20-16(18(24)21-17)9-12-1-5-14(23)6-2-12/h1-8,16-17,22-23H,9-11H2,(H,20,25)(H,21,24)/t16-,17-/m0/s1
Definition date:	2019-10-21
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

QSS

QSS
Name:	2-(4-methylpiperazin-1-yl)aniline
Formula:	C11 H17 N3
SMILES:	c1cccc(c1N2CCN(C)CC2)N
InChi:	InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3
Definition date:	2019-12-17
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-(4-methylpiperazin-1-yl)aniline

OJ5

OJ5
Name:	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Formula:	C16 H15 Cl N4 O
SMILES:	Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:	InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
Definition date:	2020-03-13
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

OKN

OKN
Name:	5'-methyl-2'-deoxycytidine-5'-phosphorothioate
Formula:	C10 H16 N3 O6 P S
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(S)=O)O2)C(=O)N=C1N
InChi:	InChI=1S/C10H16N3O6PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(19-8)4-18-20(16,17)21/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,21)/t6-,7+,8+/m0/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

OKQ

OKQ
Name:	2'-O-methylcytidine-5'-phosphorothioate
Formula:	C10 H16 N3 O7 P S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=NC2=O)N
InChi:	InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

OKT

OKT
Name:	2'-O-methyluridine-5'-phosphorothioate
Formula:	C10 H15 N2 O8 P S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=O)NC2=O
InChi:	InChI=1S/C10H15N2O8PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

R41

R41
Name:	[(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
Formula:	C18 H19 Cl N4 O2
SMILES:	c1(cc(ccn1)c2cc(cc3c2OC(C3)C(=O)N4CCNCC4)Cl)N
InChi:	InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)/t15-/m1/s1
Definition date:	2020-01-29
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone

R4D

R4D
Name:	3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one
Formula:	C24 H27 N3 O3
SMILES:	CC(C(=O)N3CCC(O)(CN2C=Nc1c(cccc1)C2=O)CC3)Cc4ccccc4
InChi:	InChI=1S/C24H27N3O3/c1-18(15-19-7-3-2-4-8-19)22(28)26-13-11-24(30,12-14-26)16-27-17-25-21-10-6-5-9-20(21)23(27)29/h2-10,17-18,30H,11-16H2,1H3/t18-/m1/s1
Definition date:	2020-01-29
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one

R4J

R4J
Name:	[(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
Formula:	C23 H23 Cl2 N3 O4 S
SMILES:	c4(Cl)cc(c1ccnc2cc(C(CO)(CCl)O)sc12)c3OC(Cc3c4)C(N5CCNCC5)=O
InChi:	InChI=1S/C23H23Cl2N3O4S/c24-11-23(31,12-29)19-10-17-21(33-19)15(1-2-27-17)16-9-14(25)7-13-8-18(32-20(13)16)22(30)28-5-3-26-4-6-28/h1-2,7,9-10,18,26,29,31H,3-6,8,11-12H2/t18-,23+/m1/s1
Definition date:	2020-01-29
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone

RFJ

RFJ
Name:	2'-O-methyl-5'-O-thiophosphonoguanosine
Formula:	C11 H16 N5 O7 P S
SMILES:	COC3C(n2c1N=C(N)NC(c1nc2)=O)OC(C3O)COP(O)(O)=S
InChi:	InChI=1S/C11H16N5O7PS/c1-21-7-6(17)4(2-22-24(19,20)25)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,25)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
Definition date:	2020-02-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2'-O-methyl-5'-O-thiophosphonoguanosine

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