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MUK

MUK
Name:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine
Formula:	C12 H13 N3
SMILES:	Cc1cc(C)nc(Nc2ccccc2)n1
InChi:	InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
Definition date:	2019-10-24
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine

MZW

MZW
Name:	5-ethyl-1,3,4-thiadiazol-2-amine
Formula:	C4 H7 N3 S
SMILES:	CCc1sc(N)nn1
InChi:	InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
Definition date:	2019-10-30
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-ethyl-1,3,4-thiadiazol-2-amine

N0E

N0E
Name:	~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide
Formula:	C15 H15 N O2
SMILES:	Oc1ccc(NC(=O)CCc2ccccc2)cc1
InChi:	InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18)
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide

N0H

N0H
Name:	~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
Formula:	C14 H13 N O3
SMILES:	Oc1ccccc1NC(=O)COc2ccccc2
InChi:	InChI=1S/C14H13NO3/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide

N0K

N0K
Name:	5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O5 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide

N0N

N0N
Name:	5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O6 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide

N0Q

N0Q
Name:	5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O5 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide

N0T

N0T
Name:	(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
Formula:	C14 H29 N O4
SMILES:	CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol

N0W

N0W
Name:	5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O5 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20-,22+,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide

NVQ

NVQ
Name:	~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C22 H26 Br N5 O4 S
SMILES:	CNCCCNC1=C(N(C)[S](=O)(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccc(Br)cc3
InChi:	InChI=1S/C22H26BrN5O4S/c1-24-13-6-14-25-20-19(27(2)33(31,32)18-7-4-3-5-8-18)21(29)26-22(30)28(20)15-16-9-11-17(23)12-10-16/h3-5,7-12,24-25H,6,13-15H2,1-2H3,(H,26,29,30)
Definition date:	2019-12-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

O9Z

O9Z
Name:	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:	C15 H9 F O4
SMILES:	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3
InChi:	InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
Definition date:	2020-02-25
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one

P5T

P5T
Name:	Meta-Nidocarborane propyl-sulfonamide
Formula:	C5 H8 B9 N O2 S
SMILES:	N[S](=O)(=O)CCC[C+]123[B]45[B-]67[C]89[B]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
InChi:	InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-6-4-7-8(5)12(5)11(5,6)9(4,6)10(4,7)13(7,8,12)14(9,10,11)12/h1-3H2,(H2,15,16,17)
Definition date:	2020-04-15
Last modified:	2020-08-14
Release date:	2020-08-19

P6Q

P6Q
Name:	Meta-Carborane propyl-sulfonamide
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B]348%10
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-4-8-11(4)5-6-10(4,5)14(6)13-7(5)12(5,11)9(13)15(4,8,13)14/h1-3H2,(H2,16,17,18)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P7H

P7H
Name:	Meta-Carborane di-propyl-sulfonamide
Formula:	C8 H16 B10 N2 O4 S2
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]47%11[B]%12%13%18[C]%14%16%17%19CCC[S](N)(=O)=O
InChi:	InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-8(4-2-6-26(20,23)24)10(7,9)12(7)14(8,10)16(8)13(8,9)11(7,9)15(7,12)17(11,13,16)18(12,14,15)16/h1-6H2,(H2,19,21,22)(H2,20,23,24)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P7Z

P7Z
Name:	Ortho-Carborane di-propyl-sulfonamide
Formula:	C8 H16 B10 N2 O4 S2
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18(CCC[S](N)(=O)=O)[B]47%14%16
InChi:	InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-8(4-2-6-26(20,23)24)9(7)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h1-6H2,(H2,19,21,22)(H2,20,23,24)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P82

P82
Name:	Para-Carborane di-propyl-sulfonamide
Formula:	C8 H16 B10 N2 O4 S2
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15[C]%16%17%18%19CCC[S](N)(=O)=O
InChi:	InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-10(7)12(7)13(7)11(7,9)15(9)8(4-2-6-26(20,23)24)14(9,10,15)16(8,10,12)18(8,12,13)17(8,11,13)15/h1-6H2,(H2,19,21,22)(H2,20,23,24)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P8B

P8B
Name:	Para-Carborane propyl-sulfonamide
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%13%14%15[B]%16%17%18[B]8%19([B]169[B]2%16%19[B]3%13%17[B]47%11%14)[C]%10%12%15%18
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-11-6-4-7(6,11)9(4)10(4)8(4,6)12(5,6,11)14(5,8,10)15(5,9,10)13(5,7,9)11/h1-3H2,(H2,16,17,18)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P8Y

P8Y
Name:	(2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol
Formula:	C12 H25 N O5 S
SMILES:	C(CS(CC1NCC(C(C1O)O)O)(=O)=O)CC(C)C
InChi:	InChI=1S/C12H25NO5S/c1-8(2)4-3-5-19(17,18)7-9-11(15)12(16)10(14)6-13-9/h8-16H,3-7H2,1-2H3/t9-,10-,11+,12+/m1/s1
Definition date:	2019-08-06
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol

P9V

P9V
Name:	(2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol
Formula:	C8 H17 N O3 S
SMILES:	CSCCC1NCC(C(C1O)O)O
InChi:	InChI=1S/C8H17NO3S/c1-13-3-2-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
Definition date:	2019-08-06
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol

PKP

PKP
Name:	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one
Formula:	C21 H18 Cl N O3 S
SMILES:	C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3)cc(cc4)Cl)O
InChi:	InChI=1S/C21H18ClNO3S/c1-21(2)10-16(24)19(17(25)11-21)12-3-6-14(7-4-12)26-20-23-15-8-5-13(22)9-18(15)27-20/h3-9,24H,10-11H2,1-2H3
Definition date:	2019-08-14
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one

X99

X99
Name:	2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione
Formula:	C20 H21 F2 N3 O4
SMILES:	FC4(F)CC(C(=O)N1CCCC1)N(C(=O)CCN3C(=O)c2ccccc2C3=O)C4
InChi:	InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1
Definition date:	2008-10-09
Last modified:	2020-08-12
Identifier:	2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione

ROC

ROC
Name:	(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
Formula:	C38 H50 N6 O5
SMILES:	O=C(N)CC(NC(=O)c1nc2c(cc1)cccc2)C(=O)NC(Cc3ccccc3)C(O)CN5C(C(=O)NC(C)(C)C)CC4C(CCCC4)C5
InChi:	InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
Synonyms:	Fortovase
Definition date:	2000-01-04
Last modified:	2020-08-12
Identifier:	N~1~-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide

YJM

YJM
Name:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
Formula:	C6 H13 N O11 S2
SMILES:	C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O
InChi:	InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose
Definition date:	2016-08-25
Last modified:	2020-08-11
Release date:	2018-02-21
Identifier:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

TWG

TWG
Name:	6-thio-alpha-D-mannopyranose
Formula:	C6 H12 O5 S
SMILES:	C1(OC(C(C(C1O)O)O)CS)O
InChi:	InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1
Definition date:	2020-04-01
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	6-thio-alpha-D-mannopyranose

RV7

RV7
Name:	4-amino-4,6-dideoxy-alpha-D-glucopyranose
Formula:	C6 H13 N O4
SMILES:	C1(OC(C(C(C1O)O)N)C)O
InChi:	InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2020-02-26
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	4-amino-4,6-dideoxy-alpha-D-glucopyranose

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