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W5W

W5W
Name:	(1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione
Formula:	C18 H20 O7
SMILES:	CO[C]1(C)[CH](O)C(=O)C(=C2OC(=O)c3c(C)cc(O)c(C)c3O[CH]12)C
InChi:	InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1
Definition date:	2023-05-03
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(1~{S},2~{S},11~{a}~{S})-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11~{a}-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione

U3R

U3R
Name:	(3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
Formula:	C13 H15 N O3
SMILES:	OC(=O)C1CN(CC1c1ccccc1)C(=O)C
InChi:	InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1
Definition date:	2023-08-29
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid

U4C

U4C
Name:	(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
Formula:	C12 H14 N2 O
SMILES:	O=C1Nc2ccccc2CC21CCCN2
InChi:	InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1
Definition date:	2023-08-29
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one

U4Z

U4Z
Name:	gamma-Carotene
Formula:	C40 H56
SMILES:	CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChi:	InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
Synonyms:	2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene
Definition date:	2023-05-15
Last modified:	2023-11-24
Release date:	2023-11-22
Identifier:	2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene

KXL

KXL
Name:	(2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide
Formula:	C22 H28 N4 O4
SMILES:	CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2
InChi:	InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1
Definition date:	2022-06-07
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide

K1L

K1L
Name:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
Formula:	C21 H24 F N9 O11 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)N=CNc67
InChi:	InChI=1S/C21H24FN9O11P2/c22-11-16-10(40-21(11)31-7-28-12-17(23)24-4-25-18(12)31)3-39-44(36,37)41-15-8(2-38-43(34,35)42-16)1-9(14(15)32)30-6-29-13-19(30)26-5-27-20(13)33/h4-11,14-16,21,32H,1-3H2,(H,34,35)(H,36,37)(H2,23,24,25)(H,26,27,33)/t8-,9-,10-,11-,14+,15-,16-,21-/m1/s1
Definition date:	2022-05-16
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one

K43

K43
Name:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine
Formula:	C22 H26 F2 N10 O8 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C22H26F2N10O8P2/c23-13-11(33-7-31-15-19(25)27-5-29-21(15)33)1-9-3-39-43(35,36)42-18-10(4-40-44(37,38)41-17(9)13)2-12(14(18)24)34-8-32-16-20(26)28-6-30-22(16)34/h5-14,17-18H,1-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,11-,12-,13+,14+,17-,18-/m1/s1
Synonyms:	3',3'-c-di-(2'F,2'dAMP)
Definition date:	2022-05-19
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine

KAX

KAX
Name:	9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine
Formula:	C21 H25 F N10 O9 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH]4O[P](O)(=O)OC[CH]5C[CH]([CH](F)[CH]5O[P](O)(=O)OC[CH]4O3)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C21H25FN10O9P2/c22-14-10(31-7-29-15-18(23)25-5-27-20(15)31)1-9-3-37-42(33,34)40-11-2-13(32-8-30-16-19(24)26-6-28-21(16)32)39-12(11)4-38-43(35,36)41-17(9)14/h5-14,17H,1-4H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t9-,10-,11+,12-,13-,14+,17-/m1/s1
Definition date:	2022-05-23
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine

9MF

9MF
Name:	methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate
Formula:	C20 H21 F N2 O2
SMILES:	COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2
InChi:	InChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24)
Synonyms:	HN37
Definition date:	2023-04-12
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	methyl ~{N}-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate

43I

43I
Name:	3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide
Formula:	C23 H31 Cl2 N7 O
SMILES:	CC[CH]1CN(CCN1C2CCN(CC2)Cc3ccc(Cl)cc3)c4nc(N)c(nc4Cl)C(N)=O
InChi:	InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1
Definition date:	2023-01-04
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	3-azanyl-6-chloranyl-5-[(3~{S})-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide

NWR

NWR
Name:	(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione
Formula:	C30 H36 Cl N3 O3 S2
SMILES:	Clc1ccc(C[CH]2NC(=O)CCSCc3ccc(CSCC=CCNC(=O)[CH]4CCC[N](C4)C2=O)cc3)cc1
InChi:	InChI=1S/C30H36ClN3O3S2/c31-26-11-9-22(10-12-26)18-27-30(37)34-15-3-4-25(19-34)29(36)32-14-1-2-16-38-20-23-5-7-24(8-6-23)21-39-17-13-28(35)33-27/h1-2,5-12,25,27H,3-4,13-21H2,(H,32,36)(H,33,35)/b2-1+/t25-,27-/m0/s1
Definition date:	2022-08-24
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione

O0H

O0H
Name:	~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C23 H25 F3 N6 O3
SMILES:	CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F)F
InChi:	InChI=1S/C23H25F3N6O3/c1-3-35-19-12-17-15(13-32(29-17)14-21(33)31-9-7-30(2)8-10-31)11-18(19)28-22(34)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,28,34)
Definition date:	2022-08-25
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

OU3

OU3
Name:	3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one
Formula:	C19 H19 F N2 O4
SMILES:	CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc(F)c(C)c3
InChi:	InChI=1S/C19H19FN2O4/c1-9(2)6-15-21-13-8-14(23)17(24)18(25)16(13)19(26)22(15)11-4-5-12(20)10(3)7-11/h4-5,7-9,23-25H,6H2,1-3H3
Definition date:	2023-02-10
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one

QUF

QUF
Name:	~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Formula:	C27 H19 F6 N7 O
SMILES:	Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)nc(nc12)c5cccnc5
InChi:	InChI=1S/C27H19F6N7O/c1-14-5-6-15(25(41)36-19-10-17(26(28,29)30)9-18(11-19)27(31,32)33)8-21(14)37-23-20-13-35-40(2)24(20)39-22(38-23)16-4-3-7-34-12-16/h3-13H,1-2H3,(H,36,41)(H,37,38,39)
Definition date:	2022-11-15
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

QWF

QWF
Name:	(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid
Formula:	C47 H71 N9 O16
SMILES:	OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](CC=Cc1ccccc1)NC(=O)[CH]2CC[CH](CC2)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C47H71N9O16/c57-38(28-53-19-21-54(29-40(60)61)23-25-56(31-42(64)65)26-24-55(22-20-53)30-41(62)63)49-27-33-12-14-34(15-13-33)43(66)50-35(11-6-9-32-7-2-1-3-8-32)44(67)48-18-5-4-10-36(45(68)69)51-47(72)52-37(46(70)71)16-17-39(58)59/h1-3,6-9,33-37H,4-5,10-31H2,(H,48,67)(H,49,57)(H,50,66)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H2,51,52,72)/b9-6+/t33-,34-,35-,36-,37-/m0/s1
Definition date:	2022-11-15
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid

QYF

QYF
Name:	(2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
Formula:	C49 H69 N9 O16
SMILES:	OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)[CH]3CC[CH](CC3)CNC(=O)CN4CCN(CCN(CCN(CC(O)=O)C=C4)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C49H69N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,17,19,25,32,35,37-39H,3-4,7-9,12-16,18,20-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/b19-17-/t32-,35-,37-,38-,39-/m0/s1
Definition date:	2022-11-16
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid

R4U

R4U
Name:	~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Formula:	C11 H16 N6
SMILES:	Nc1nc(NC2CCCCC2)c3c[nH]nc3n1
InChi:	InChI=1S/C11H16N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17)
Definition date:	2022-11-23
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine

R8F

R8F
Name:	(1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde
Formula:	C14 H11 N5 O3
SMILES:	O=CC1=CO[CH]2C[CH]1C(=CN2c3ncnc4nc[nH]c34)C=O
InChi:	InChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)/t10-,11+/m0/s1
Synonyms:	(1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde
Definition date:	2022-11-25
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde

SQT

SQT
Name:	6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
Formula:	C16 H19 N5
SMILES:	N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1
InChi:	InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide

ST0

ST0
Name:	N-cyclopentyloxane-4-sulfonamide
Formula:	C10 H19 N O3 S
SMILES:	O=S(=O)(NC1CCCC1)C1CCOCC1
InChi:	InChI=1S/C10H19NO3S/c12-15(13,10-5-7-14-8-6-10)11-9-3-1-2-4-9/h9-11H,1-8H2
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	N-cyclopentyloxane-4-sulfonamide

SW9

SW9
Name:	4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione
Formula:	C10 H17 N O2 S
SMILES:	O=S1(=O)CCC(CC1)N(C)C=C=CC
InChi:	InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione

SX9

SX9
Name:	1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one
Formula:	C15 H20 N2 O
SMILES:	O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1
InChi:	InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one

SY3

SY3
Name:	N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide
Formula:	C13 H11 F N2 O
SMILES:	O=C(Nc1cc(F)ccc1C)c1ccncc1
InChi:	InChI=1S/C13H11FN2O/c1-9-2-3-11(14)8-12(9)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide

SYX

SYX
Name:	(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
Formula:	C10 H18 N2 O2
SMILES:	O=C(N1CCN(C)CC1)C1CCCO1
InChi:	InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone

SZX

SZX
Name:	(2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide
Formula:	C10 H12 N2 O3
SMILES:	O=C(Nc1ccccn1)C1COCCO1
InChi:	InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide

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