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CD0

CD0
Name:	2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
Formula:	C21 H32 O2
SMILES:	c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O
InChi:	InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1
Definition date:	2018-05-09
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol

F80

F80
Name:	N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
Formula:	C19 H25 N5 O
SMILES:	CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1
InChi:	InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24)
Definition date:	2020-04-08
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine

E0O

E0O
Name:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid
Formula:	C10 H11 Cl O3
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
Definition date:	2019-09-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid

EA6

EA6
Name:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C14 H19 Cl F N5 O2
SMILES:	CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl
InChi:	InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20)
Definition date:	2019-11-28
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

H3U

H3U
Name:	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
Formula:	C25 H21 N3 O11 S3
SMILES:	Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
Definition date:	2020-11-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

K7M

K7M
Name:	(2R)-N-hydroxy-1-phenylpropan-2-amine
Formula:	C9 H13 N O
SMILES:	c1ccccc1CC(C)NO
InChi:	InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1
Synonyms:	N-(1-phenylpropan-2-yl)hydroxylamine
Definition date:	2018-11-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-N-hydroxy-1-phenylpropan-2-amine

N47

N47
Name:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
Formula:	C20 H29 N5 O2
SMILES:	N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C
InChi:	InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24)
Definition date:	2019-05-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine

GB9

GB9
Name:	N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide
Formula:	C12 H8 Cl F N2 O
SMILES:	Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2
InChi:	InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
Synonyms:	ztz240
Definition date:	2020-08-17
Last modified:	2020-11-05
Release date:	2020-09-16
Identifier:	~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide

TUS

TUS
Name:	(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
Formula:	C23 H29 N O5
SMILES:	C23(C4C(CC1(C5(C(CC1C4CCC2=CC(C=C3)=O)OC(C)=N5)C(CO)=O)C)O)C
InChi:	InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1
Definition date:	2020-03-31
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one

TJG

TJG
Name:	7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
Formula:	C21 H27 N3 O2
SMILES:	c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4
InChi:	InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17-
Definition date:	2020-03-23
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide

WFY

WFY
Name:	4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
Formula:	C15 H18 Cl F N4 O
SMILES:	Clc1cc(C(=O)N)nc2c1c(C)cn2C(C)C3(CNCC3)F
InChi:	InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1
Definition date:	2020-10-27
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

SWS

SWS
Name:	7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
Formula:	C21 H28 N4 O2
SMILES:	CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(ncc3c2)N4CCC4
InChi:	InChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)/t16-,17-
Definition date:	2020-03-13
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide

VFG

VFG
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C5 H8 N4 O3 S2
SMILES:	CCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)
Definition date:	2020-08-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

VFJ

VFJ
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
Formula:	C6 H10 N4 O3 S2
SMILES:	C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
Definition date:	2020-08-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide

VFM

VFM
Name:	2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C6 H10 N4 O3 S2
SMILES:	CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

SL4

SL4
Name:	5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile
Formula:	C23 H20 F N3 O4 S
SMILES:	CC(C)(C)[CH]1N(Cc2ccc(F)c(c2)C#N)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34
InChi:	InChI=1S/C23H20FN3O4S/c1-23(2,3)21-20(28)18(19-15-6-4-5-7-17(15)32(30,31)26-19)22(29)27(21)12-13-8-9-16(24)14(10-13)11-25/h4-10,21,28H,12H2,1-3H3/t21-/m1/s1
Definition date:	2020-03-11
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile

VGS

VGS
Name:	2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C7 H12 N4 O3 S2
SMILES:	CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C
InChi:	InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

VGV

VGV
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Formula:	C9 H14 N4 O3 S2
SMILES:	C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2
InChi:	InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

QOQ

QOQ
Name:	5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:	C18 H19 Cl F2 N6
SMILES:	Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1
InChi:	InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1
Definition date:	2020-07-13
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

R4P

R4P
Name:	1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid
Formula:	C21 H17 N3 O2
SMILES:	c1(cc(cc2c1n(C)nn2)c3ccc(cc3)c4c(cccc4)C)C(=O)O
InChi:	InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26)
Definition date:	2020-01-30
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid

R6K

R6K
Name:	2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
Formula:	C34 H41 N7 O2
SMILES:	CN1CCN(CC1)Cc2ccc(cc2)c3ccc(CO[CH]4CCC[CH]4NC(=O)c5cc(cnc5N)c6cnn(C)c6)cc3
InChi:	InChI=1S/C34H41N7O2/c1-39-14-16-41(17-15-39)21-24-6-10-26(11-7-24)27-12-8-25(9-13-27)23-43-32-5-3-4-31(32)38-34(42)30-18-28(19-36-33(30)35)29-20-37-40(2)22-29/h6-13,18-20,22,31-32H,3-5,14-17,21,23H2,1-2H3,(H2,35,36)(H,38,42)/t31-,32-/m0/s1
Definition date:	2020-09-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

QTT

QTT
Name:	2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid
Formula:	C23 H32 N4 O2
SMILES:	CN(Cc1cccc(C)n1)[CH]2CCCC[CH]2N(CC(O)=O)Cc3cccc(C)n3
InChi:	InChI=1S/C23H32N4O2/c1-17-8-6-10-19(24-17)14-26(3)21-12-4-5-13-22(21)27(16-23(28)29)15-20-11-7-9-18(2)25-20/h6-11,21-22H,4-5,12-16H2,1-3H3,(H,28,29)/t21-,22-/m0/s1
Definition date:	2020-08-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid

ROY

ROY
Name:	3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
Formula:	C17 H20 Cl2 N4 O
SMILES:	C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4
InChi:	InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24)
Definition date:	2020-02-18
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

RP7

RP7
Name:	(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol
Formula:	C6 H11 N O
SMILES:	CN1CC=CC(C1)O
InChi:	InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1
Definition date:	2020-02-18
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol

EYR

EYR
Name:	(6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
Formula:	C40 H68
SMILES:	CC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1
Definition date:	2020-02-26
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	(6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene

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