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H43

H43
Name:	2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
Formula:	C24 H26 N2 O2
SMILES:	C[CH](N[CH]1CCN(C1)c2ccc(CC(O)=O)cc2)c3cccc4ccccc34
InChi:	InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
Synonyms:	Evocalcet
Definition date:	2020-11-02
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-[4-[(3~{S})-3-[[(1~{R})-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid

J6C

J6C
Name:	Miltiradiene
Formula:	C20 H32
SMILES:	CC(C)C1=CCC2=C(CC[CH]3C(C)(C)CCC[C]23C)C1
InChi:	InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1
Synonyms:	(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene
Definition date:	2021-04-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(4~{b}~{S},8~{a}~{S})-4~{b},8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8~{a},9,10-octahydrophenanthrene

QRH

QRH
Name:	(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
Formula:	C36 H38 N O3 P
SMILES:	O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4
InChi:	InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+
Definition date:	2020-07-29
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide

WMA

WMA
Name:	(3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione
Formula:	C15 H17 N3 O2
SMILES:	n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2
InChi:	InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1
Definition date:	2020-06-05
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione

UYG

UYG
Name:	(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione
Formula:	C16 H19 N3 O2
SMILES:	c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23
InChi:	InChI=1S/C16H19N3O2/c1-9(2)14-16(21)18-13(15(20)19-14)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,17H,7H2,1-2H3,(H,18,21)(H,19,20)/t13-,14-/m0/s1
Definition date:	2020-06-05
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione

UYM

UYM
Name:	(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione
Formula:	C22 H20 N4 O2
SMILES:	n4cc(CC3C(NC(Cc2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5
InChi:	InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1
Definition date:	2020-06-05
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione

ZO4

ZO4
Name:	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine
Formula:	C24 H30 Cl N3 O5
SMILES:	C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2OCC(O)C(O)C2O)c(Cl)cc1
InChi:	InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(29)12-33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21-,22-/m1/s1
Definition date:	2021-05-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine

ZO7

ZO7
Name:	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine
Formula:	C24 H30 Cl N3 O5
SMILES:	C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2OCC(O)C(O)C2O)c(Cl)cc1
InChi:	InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(29)12-33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21+,22-/m1/s1
Definition date:	2021-05-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine

ZOG

ZOG
Name:	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
Formula:	C21 H21 F2 N O5 S
SMILES:	O=S(=O)(c1ccc(cc1)C(=O)CCC(=O)O)N1CCC(CC1)c1ccc(F)c(F)c1
InChi:	InChI=1S/C21H21F2NO5S/c22-18-6-3-16(13-19(18)23)14-9-11-24(12-10-14)30(28,29)17-4-1-15(2-5-17)20(25)7-8-21(26)27/h1-6,13-14H,7-12H2,(H,26,27)
Definition date:	2021-05-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid

V0A

V0A
Name:	(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione
Formula:	C22 H27 N O5
SMILES:	C2(C)C1CC=C(C(O1)(C)OC2C(C)[C@H]=C(C)[C@H]=[C@H]/C(O)=C3/C(C=NC3=O)=O)C
InChi:	InChI=1S/C22H27NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10-11,13,15,18,20,24H,9H2,1-5H3/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1
Synonyms:	Tirandamycin C
Definition date:	2020-06-09
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione

ZPV

ZPV
Name:	N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
Formula:	C20 H21 F N2 O5 S
SMILES:	O=S(=O)(c1ccc(C(=O)NCC(=O)O)c(F)c1)N1CCC(CC1)c1ccccc1
InChi:	InChI=1S/C20H21FN2O5S/c21-18-12-16(6-7-17(18)20(26)22-13-19(24)25)29(27,28)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,26)(H,24,25)
Definition date:	2021-05-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine

ZQ1

ZQ1
Name:	N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
Formula:	C19 H20 Cl N3 O5 S
SMILES:	O=S(=O)(c1ccc(nc1)C(=O)NCC(=O)O)N1CCC(CC1)c1ccc(Cl)cc1
InChi:	InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)
Definition date:	2021-05-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine

ZQA

ZQA
Name:	4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole
Formula:	C8 H9 N3 S
SMILES:	CCc1csc(n1)c1[NH]cnc1
InChi:	InChI=1S/C8H9N3S/c1-2-6-4-12-8(11-6)7-3-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole

ZQD

ZQD
Name:	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
Formula:	C9 H14 N2 O3 S
SMILES:	CS(=O)(=O)N1CCCC1c1cc(C)on1
InChi:	InChI=1S/C9H14N2O3S/c1-7-6-8(10-14-7)9-4-3-5-11(9)15(2,12)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole

ZQG

ZQG
Name:	3-(1H-imidazol-2-yl)propan-1-amine
Formula:	C6 H11 N3
SMILES:	NCCCc1ncc[NH]1
InChi:	InChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9)
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	3-(1H-imidazol-2-yl)propan-1-amine

ZQM

ZQM
Name:	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea
Formula:	C10 H14 N2 O S
SMILES:	CC(C)Sc1ccccc1NC(N)=O
InChi:	InChI=1S/C10H14N2OS/c1-7(2)14-9-6-4-3-5-8(9)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea

X5M

X5M
Name:	(4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one
Formula:	C15 H21 N4 O3
SMILES:	CCN(CC)c1ccc(cc1[N](O)=O)C2=NNC(=O)C[CH]2C
InChi:	InChI=1S/C15H21N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,21,22)/t10-/m1/s1
Definition date:	2020-12-01
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one

Q5Q

Q5Q
Name:	3,6-dibromo-1-(hydroxymethyl)carbazole
Formula:	C13 H9 Br2 N O
SMILES:	Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1
InChi:	InChI=1S/C13H9Br2NO/c1-6-2-3-9-7(4-6)11-12(15)8(14)5-10(17)13(11)16-9/h2-5,16-17H,1H3
Synonyms:	3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol
Definition date:	2020-05-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol

TZH

TZH
Name:	(5-methyl-2-nitro-phenyl) cyclobutanecarboxylate
Formula:	C12 H14 N O4
SMILES:	Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O
InChi:	InChI=1S/C12H14NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,16)/q+1
Definition date:	2021-01-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(2-cyclobutylcarbonyloxy-4-methyl-phenyl)-oxidanyl-oxidanylidene-azanium

TK2

TK2
Name:	2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
Formula:	C30 H30 N4 O
SMILES:	Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5
InChi:	InChI=1S/C30H30N4O/c1-22-25(13-8-14-27(22)24-11-6-3-7-12-24)21-35-26-15-16-29-33-28(19-31)30(34(29)20-26)32-18-17-23-9-4-2-5-10-23/h2-16,20,32H,17-19,21,31H2,1H3
Definition date:	2020-12-23
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine

QRE

QRE
Name:	2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid
Formula:	C27 H26 N2 O7 S
SMILES:	OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O
InChi:	InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37)
Definition date:	2020-07-29
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid

8Y9

8Y9
Name:	[(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate
Formula:	C9 H16 N5 O8 P
SMILES:	NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
InChi:	InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6-/m0/s1
Synonyms:	(S)-Gh
Definition date:	2017-11-07
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	[(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

FXR

FXR
Name:	6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
Formula:	C19 H16 N6 O2
SMILES:	CC1=CC=CN2C(=O)c3cc(c(N)nc3N=C12)C(=O)NCc4cccnc4
InChi:	InChI=1S/C19H16N6O2/c1-11-4-3-7-25-17(11)24-16-14(19(25)27)8-13(15(20)23-16)18(26)22-10-12-5-2-6-21-9-12/h2-9H,10H2,1H3,(H2,20,23)(H,22,26)
Definition date:	2020-07-05
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	6-azanyl-11-methyl-2-oxidanylidene-~{N}-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide

G6U

G6U
Name:	~{N}-[(~{E})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine
Formula:	C16 H19 F6 N O S
SMILES:	CC(C)CCNCC=C[S](=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C16H19F6NOS/c1-11(2)4-6-23-5-3-7-25(24)14-9-12(15(17,18)19)8-13(10-14)16(20,21)22/h3,7-11,23H,4-6H2,1-2H3/b7-3+/t25-/m0/s1
Definition date:	2020-08-03
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	~{N}-[(~{E})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine

GEC

GEC
Name:	4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
Formula:	C20 H22 O6
SMILES:	COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O)c(OC)c4
InChi:	InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1
Synonyms:	(+)-pinoresinol
Definition date:	2020-08-22
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[(3~{S},3~{a}~{R},6~{S},6~{a}~{R})-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol

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