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NL7

NL7
Name:	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C12 H12 N2 O6 S2
SMILES:	c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O
InChi:	InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

NLJ

NLJ
Name:	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C12 H12 N2 O6 S2
SMILES:	c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O
InChi:	InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

NLM

NLM
Name:	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 Cl N2 O5 S2
SMILES:	N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl
InChi:	InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

NLS

NLS
Name:	4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 F N2 O5 S2
SMILES:	N(c1nc(F)ccc1)S(c2ccc(S(=O)(=O)O)cc2)(=O)=O
InChi:	InChI=1S/C11H9FN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

NLV

NLV
Name:	4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 Cl N2 O5 S2
SMILES:	N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(=O)=O
InChi:	InChI=1S/C11H9ClN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

KJE

KJE
Name:	18-carboxymethoxy-cleaviminium
Formula:	C21 H25 N2 O2
SMILES:	CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4ccccc4[CH]3CC[N+](=C1)C2
InChi:	InChI=1S/C21H25N2O2/c1-3-14-10-15-11-18(21(24)25-2)20-17(8-9-23(12-14)13-15)16-6-4-5-7-19(16)22-20/h4-7,10,12,15,17-18H,3,8-9,11,13H2,1-2H3/q+1/t15-,17+,18+/m0/s1
Definition date:	2019-05-22
Last modified:	2020-02-28
Release date:	2020-03-04

Q8J

Q8J
Name:	4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
Formula:	C24 H30 N6 O2
SMILES:	C(N1CCN(CC1)C(=O)Nc5cc(c3cn(C2CCOCC2)c4cnccc34)ccn5)C
InChi:	InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide

QCG

QCG
Name:	(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
Formula:	C29 H30 F N3 O4
SMILES:	c2(c1c(OCCC1)c(F)cc2c5c(c(C)nc4cc(c3ccccc3)nn45)C(C(O)=O)OC(C)(C)C)C
InChi:	InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)/t27-/m0/s1
Definition date:	2019-10-14
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

MVK

MVK
Name:	4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
Formula:	C23 H26 N2 O2
SMILES:	Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C23H26N2O2/c1-15-13-16(2)22-19(10-11-24-22)20(15)14-25-12-4-3-5-21(25)17-6-8-18(9-7-17)23(26)27/h6-11,13,21,24H,3-5,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
Definition date:	2019-10-25
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid

MVQ

MVQ
Name:	(2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide
Formula:	C23 H27 N5 O3 S
SMILES:	CN1C(=O)c2nc(sc2N=C1C3CCOCC3)N4CCC[CH]4C(=O)NCc5ccccc5
InChi:	InChI=1S/C23H27N5O3S/c1-27-19(16-9-12-31-13-10-16)26-21-18(22(27)30)25-23(32-21)28-11-5-8-17(28)20(29)24-14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,24,29)/t17-/m1/s1
Definition date:	2019-10-25
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide

MVT

MVT
Name:	3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Formula:	C19 H18 F3 N3 O2 S2
SMILES:	CC(C)[CH](Cc1sc(N[S](=O)(=O)c2cc(F)cc(F)c2)nn1)c3cccc(F)c3
InChi:	InChI=1S/C19H18F3N3O2S2/c1-11(2)17(12-4-3-5-13(20)6-12)10-18-23-24-19(28-18)25-29(26,27)16-8-14(21)7-15(22)9-16/h3-9,11,17H,10H2,1-2H3,(H,24,25)/t17-/m1/s1
Definition date:	2019-10-25
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide

MVW

MVW
Name:	5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole
Formula:	C22 H26 N2
SMILES:	Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4ccccc4
InChi:	InChI=1S/C22H26N2/c1-16-14-17(2)22-19(11-12-23-22)20(16)15-24-13-7-6-10-21(24)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,21,23H,6-7,10,13,15H2,1-2H3/t21-/m0/s1
Definition date:	2019-10-25
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole

MVZ

MVZ
Name:	5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine
Formula:	C12 H10 Br Cl N4
SMILES:	Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13
InChi:	InChI=1S/C12H10BrClN4/c1-6-4-7(13)11(18-12-15-2-3-16-12)9-8(14)5-17-10(6)9/h2-5,17H,1H3,(H2,15,16,18)
Definition date:	2019-10-25
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine

MZK

MZK
Name:	6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C16 H12 F3 N O
SMILES:	FC(F)(F)c1ccc(cc1)c2ccc3NC(=O)CCc3c2
InChi:	InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
Definition date:	2019-10-29
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one

N6Z

N6Z
Name:	~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
Formula:	C27 H29 F2 N5 O3
SMILES:	CCC(=O)N(C)CCOc1c(N)ncnc1c2cc(F)cc(NC(=O)c3ccc(cc3F)C4CC4)c2C
InChi:	InChI=1S/C27H29F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h7-8,11-14,16H,4-6,9-10H2,1-3H3,(H,33,36)(H2,30,31,32)
Definition date:	2019-11-14
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide

M1E

M1E
Name:	~{N}-methylthieno[3,2-d]pyrimidin-4-amine
Formula:	C7 H7 N3 S
SMILES:	CNc1ncnc2ccsc12
InChi:	InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methylthieno[3,2-d]pyrimidin-4-amine

M1H

M1H
Name:	~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine
Formula:	C10 H14 N2
SMILES:	CNc1ccnc2CCCCc12
InChi:	InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine

M1Q

M1Q
Name:	5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione
Formula:	C8 H10 N2 O2
SMILES:	O=C1NC(=O)[CH]2CCCCC2=N1
InChi:	InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione

M1Z

M1Z
Name:	6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione
Formula:	C8 H11 N3 O2
SMILES:	O=C1CC(=NC(=O)N1)N2CCCC2
InChi:	InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione

M3E

M3E
Name:	6-phenyl-1~{H}-pyrimidine-2,4-dione
Formula:	C10 H8 N2 O2
SMILES:	O=C1NC(=O)C=C(N1)c2ccccc2
InChi:	InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-phenyl-1~{H}-pyrimidine-2,4-dione

M3H

M3H
Name:	2-phenyl-4,5-dihydro-1~{H}-imidazole
Formula:	C9 H10 N2
SMILES:	C1CN=C(N1)c2ccccc2
InChi:	InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	2-phenyl-4,5-dihydro-1~{H}-imidazole

M3Z

M3Z
Name:	6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C13 H15 N3 O2
SMILES:	CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2
InChi:	InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

M45

M45
Name:	~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
Formula:	C6 H11 N5
SMILES:	C1CN[CH](C1)Nc2[nH]ncn2
InChi:	InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine

M4B

M4B
Name:	6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one
Formula:	C11 H9 N3 O3
SMILES:	CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O
InChi:	InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one

M4E

M4E
Name:	~{N}-methyl-2~{H}-indazole-3-carboxamide
Formula:	C9 H9 N3 O
SMILES:	CNC(=O)c1n[nH]c2ccccc12
InChi:	InChI=1S/C9H9N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,10,13)(H,11,12)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-1~{H}-indazole-3-carboxamide

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