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EWR

EWR
Name:	(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
Formula:	C25 H29 N O4 S
SMILES:	CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O
InChi:	InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid

F5A

F5A
Name:	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
Formula:	C17 H15 Cl O4
SMILES:	C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O
InChi:	InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
Definition date:	2019-01-23
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid

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

Q6K

Q6K
Name:	~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
Formula:	C28 H35 N7 O2
SMILES:	CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C
InChi:	InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32)
Definition date:	2020-05-25
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide

QKJ

QKJ
Name:	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
Formula:	C18 H24 N4 O4
SMILES:	c1ccc(CCC(=O)O)cc1OCCCOc2c(CC)nc(nc2N)N
InChi:	InChI=1S/C18H24N4O4/c1-2-14-16(17(19)22-18(20)21-14)26-10-4-9-25-13-6-3-5-12(11-13)7-8-15(23)24/h3,5-6,11H,2,4,7-10H2,1H3,(H,23,24)(H4,19,20,21,22)
Definition date:	2019-11-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid

RFT

RFT
Name:	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
Formula:	C15 H24 N2 O3 S3
SMILES:	C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O
InChi:	InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20)
Definition date:	2020-05-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate

RUZ

RUZ
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
Formula:	C16 H23 N5 O9 S
SMILES:	N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23
InChi:	InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1
Synonyms:	SerS7HMDDA
Definition date:	2020-10-21
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate

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

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

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

V4A

V4A
Name:	Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
Formula:	C22 H16 N8 Pt
SMILES:	c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8
InChi:	InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11
Definition date:	2020-06-24
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	bis[3-(pyridin-2-yl-kappaN)[1,2,4]triazolo[4,3-a]pyridine-kappaN~2~]platinum(2+)

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

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

O0Z

O0Z
Name:	(2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide
Formula:	C30 H42 N4 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CCCN(CC3)Cc4ccccc4
InChi:	InChI=1S/C30H42N4O/c1-2-3-17-31-29(21-26-22-33-28-14-8-7-13-27(26)28)30(35)32-18-15-24-12-9-19-34(20-16-24)23-25-10-5-4-6-11-25/h4-8,10-11,13-14,22,24,29,31,33H,2-3,9,12,15-21,23H2,1H3,(H,32,35)/t24-,29+/m1/s1
Definition date:	2020-01-16
Last modified:	2020-10-23
Release date:	2020-10-28
Identifier:	(2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide

QGD

QGD
Name:	O-{(R)-hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine
Formula:	C40 H80 N O9 P
SMILES:	C(O)(C(COP(OCC(COCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)(=O)O)N)=O
InChi:	InChI=1S/C40H80NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-47-34-37(35-48-51(45,46)49-36-38(41)40(43)44)50-39(42)32-30-28-26-24-22-14-12-10-8-6-4-2/h37-38H,3-36,41H2,1-2H3,(H,43,44)(H,45,46)/t37-,38+/m1/s1
Definition date:	2019-10-28
Last modified:	2020-10-23
Release date:	2020-10-28
Identifier:	O-{(R)-hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine

RRB

RRB
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
Formula:	C22 H27 N5 O9 S
SMILES:	N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4cc(CO)cc(N)c34
InChi:	InChI=1S/C22H27N5O9S/c23-14-6-12(8-28)7-16-18(14)27(10-25-16)22-20(31)19(30)17(36-22)9-35-37(33,34)26-21(32)15(24)5-11-1-3-13(29)4-2-11/h1-4,6-7,10,15,17,19-20,22,28-31H,5,8-9,23-24H2,(H,26,32)/t15-,17+,19+,20+,22+/m0/s1
Definition date:	2020-10-20
Last modified:	2020-10-23
Release date:	2020-10-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate

RX7

RX7
Name:	2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol
Formula:	C10 H17 N O S
SMILES:	c1(c(C)ccs1)CNC(C)(C)CO
InChi:	InChI=1S/C10H17NOS/c1-8-4-5-13-9(8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3
Definition date:	2020-02-28
Last modified:	2020-10-23
Release date:	2020-10-28
Identifier:	2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol

LP0

LP0
Name:	(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
Formula:	C10 H16 B N4 O9 P S
SMILES:	OP(O)(=O)OB(O)CNC(C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O
InChi:	InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6-
Definition date:	2019-07-25
Last modified:	2020-10-16
Release date:	2020-10-21
Identifier:	(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid

ND5

ND5
Name:	3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
Formula:	C10 H9 Br2 N O4
SMILES:	OC(=O)CCON=Cc1cc(Br)cc(Br)c1O
InChi:	InChI=1S/C10H9Br2NO4/c11-7-3-6(10(16)8(12)4-7)5-13-17-2-1-9(14)15/h3-5,16H,1-2H2,(H,14,15)/b13-5+
Definition date:	2019-11-22
Last modified:	2020-10-16
Release date:	2020-10-21
Identifier:	3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid

GQU

GQU
Name:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
Formula:	C24 H29 F2 N3 O4
SMILES:	Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1
InChi:	InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1
Definition date:	2020-09-23
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide

EUX

EUX
Name:	N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine
Formula:	C31 H34 F3 N9 O3 S
SMILES:	CC(C)n1c2cc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)ncc2c6c(OCC(F)(F)F)cc(cc16)N7CCN(C)CC7
InChi:	InChI=1S/C31H34F3N9O3S/c1-19(2)43-24-14-28(38-27-6-7-35-30(39-27)20-15-37-42(17-20)47(44,45)22-4-5-22)36-16-23(24)29-25(43)12-21(41-10-8-40(3)9-11-41)13-26(29)46-18-31(32,33)34/h6-7,12-17,19,22H,4-5,8-11,18H2,1-3H3,(H,35,36,38,39)
Definition date:	2020-01-29
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine

LVW

LVW
Name:	(2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol
Formula:	C6 H12 O2 Se
SMILES:	O[CH](C[SeH])COCC=C
InChi:	InChI=1S/C6H12O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7,9H,1,3-5H2/t6-/m1/s1
Definition date:	2019-09-23
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol

PJ1

PJ1
Name:	(2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol
Formula:	C13 H16 Cl N3 O
SMILES:	c1(ccc(cc1)Cl)N(CC(Cn2ccnc2)O)C
InChi:	InChI=1S/C13H16ClN3O/c1-16(12-4-2-11(14)3-5-12)8-13(18)9-17-7-6-15-10-17/h2-7,10,13,18H,8-9H2,1H3/t13-/m1/s1
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol

DSM

DSM
Name:	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE
Formula:	C18 H22 N2
SMILES:	c1cc3c(cc1)CCc2c(cccc2)N3CCCNC
InChi:	InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
Synonyms:	Desipramine
Definition date:	2007-07-17
Last modified:	2020-09-29
Identifier:	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine

IXX

IXX
Name:	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
Formula:	C19 H24 N2
SMILES:	c1cc3c(cc1)CCc2c(cccc2)N3CCCN(C)C
InChi:	InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
Synonyms:	5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine
Definition date:	2007-06-07
Last modified:	2020-09-28
Identifier:	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine

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