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R0C

R0C
Name:	(2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
Formula:	C19 H21 N7 O2 S
SMILES:	CO[CH](C(=O)Nc1sc(N[CH]2CCN(C2)c3cccnn3)nn1)c4ccccc4
InChi:	InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1
Definition date:	2022-11-21
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide

JHO

JHO
Name:	(2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol
Formula:	C18 H20 N6 O
SMILES:	CCc1nnc2ccc(N[CH](CO)Cc3c[nH]c4ccccc34)nn12
InChi:	InChI=1S/C18H20N6O/c1-2-17-21-22-18-8-7-16(23-24(17)18)20-13(11-25)9-12-10-19-15-6-4-3-5-14(12)15/h3-8,10,13,19,25H,2,9,11H2,1H3,(H,20,23)/t13-/m0/s1
Definition date:	2022-08-11
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(2~{S})-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1~{H}-indol-3-yl)propan-1-ol

JLX

JLX
Name:	N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:	C16 H13 F3 N6
SMILES:	FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12
InChi:	InChI=1S/C16H13F3N6/c17-16(18,19)15-23-22-14-6-5-13(24-25(14)15)20-8-7-10-9-21-12-4-2-1-3-11(10)12/h1-6,9,21H,7-8H2,(H,20,24)
Definition date:	2022-08-22
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

32N

32N
Name:	(1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
Formula:	C40 H56 O3
SMILES:	CC(=CC=CC=C(C)C=CC=C(CO)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C
InChi:	InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37+/m1/s1
Definition date:	2021-07-09
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(1~{S})-4-[(1~{E},3~{Z},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol

JVI

JVI
Name:	4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C18 H21 N5 O2
SMILES:	CCNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC
InChi:	InChI=1S/C18H21N5O2/c1-3-19-18-21-13-6-4-5-12(13)17(22-18)23-10-16(24)20-14-9-11(25-2)7-8-15(14)23/h7-9H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,22)
Definition date:	2022-02-02
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one

KC3

KC3
Name:	3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
Formula:	C12 H17 N5
SMILES:	CC1CCN(CC1)c2ccc3nnc(C)n3n2
InChi:	InChI=1S/C12H17N5/c1-9-5-7-16(8-6-9)12-4-3-11-14-13-10(2)17(11)15-12/h3-4,9H,5-8H2,1-2H3
Definition date:	2022-09-14
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

KCL

KCL
Name:	~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:	C16 H16 N6
SMILES:	Cc1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12
InChi:	InChI=1S/C16H16N6/c1-11-19-20-16-7-6-15(21-22(11)16)17-9-8-12-10-18-14-5-3-2-4-13(12)14/h2-7,10,18H,8-9H2,1H3,(H,17,21)
Definition date:	2022-09-14
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

81D

81D
Name:	(S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol
Formula:	C20 H24 B Cl N6 O10 P
SMILES:	NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCO)ccc(Cl)c16
InChi:	InChI=1S/C20H24BClN6O10P/c22-9-1-2-10(33-4-3-29)14-13(9)11(5-23)36-21(14)37-16-12(6-34-39(30,31)32)35-20(17(16)38-21)28-8-27-15-18(24)25-7-26-19(15)28/h1-2,7-8,11-12,16-17,20,29H,3-6,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/t11-,12-,16-,17-,20-,21+/m1/s1
Synonyms:	[(1R,5S,6R,8R,9'S)-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate
Definition date:	2021-09-21
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	[(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate

L2U

L2U
Name:	(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
Formula:	C41 H57 N9 O13 S
SMILES:	CC(C)C[CH](NC(=O)[CH]1C[CH](N)CN1C(=O)CC[CH](N[S](=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(N)=O)cc2)C(O)=O)C(=O)N(C)[CH](CCC(O)=O)C(=O)NCCCCC(N)=O
InChi:	InChI=1S/C41H57N9O13S/c1-23(2)20-30(40(59)49(3)31(16-18-35(53)54)38(57)45-19-5-4-6-33(43)51)47-39(58)32-21-26(42)22-50(32)34(52)17-15-29(41(60)61)48-64(62,63)28-13-11-27(12-14-28)46-37(56)25-9-7-24(8-10-25)36(44)55/h7-14,23,26,29-32,48H,4-6,15-22,42H2,1-3H3,(H2,43,51)(H2,44,55)(H,45,57)(H,46,56)(H,47,58)(H,53,54)(H,60,61)/t26-,29+,30-,31-,32-/m0/s1
Definition date:	2022-11-08
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

8BH

8BH
Name:	5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C15 H10 N6
SMILES:	Nc1[nH]nc(C(=Cc2c[nH]c3ccccc23)C#N)c1C#N
InChi:	InChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+
Synonyms:	Tyrphostin AG 1112
Definition date:	2022-03-04
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile

MVS

MVS
Name:	4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile
Formula:	C19 H17 N3 O3
SMILES:	COc1cc(cc(OC)c1OC)Nc1ccnc2cc(ccc12)C#N
InChi:	InChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22)
Definition date:	2022-03-21
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile

N4X

N4X
Name:	3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide
Formula:	C18 H21 N3 O
SMILES:	CC1(C)CN(C(N)=O)c2ccccc2N1Cc3ccccc3
InChi:	InChI=1S/C18H21N3O/c1-18(2)13-20(17(19)22)15-10-6-7-11-16(15)21(18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,19,22)
Definition date:	2023-01-11
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide

9IZ

9IZ
Name:	1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine
Formula:	C23 H21 N5
SMILES:	C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4
InChi:	InChI=1S/C23H21N5/c1-4-13-24-19(8-1)16-28(17-20-9-2-5-14-25-20)18-21-10-7-12-23(27-21)22-11-3-6-15-26-22/h1-15H,16-18H2
Definition date:	2022-01-18
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine

1KI

1KI
Name:	2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol
Formula:	C21 H22 Br F N2 O2 S
SMILES:	CN(CCOCCF)c1cc2sc(C=Cc3ccc(O)c(Br)c3)nc2cc1C
InChi:	InChI=1S/C21H22BrFN2O2S/c1-14-11-17-20(13-18(14)25(2)8-10-27-9-7-23)28-21(24-17)6-4-15-3-5-19(26)16(22)12-15/h3-6,11-13,26H,7-10H2,1-2H3/b6-4+
Definition date:	2022-01-24
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol

O6O

O6O
Name:	(8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one
Formula:	C21 H19 N O5
SMILES:	O=C1C=C(Oc2c(cccc21)c1ccc2OCCOc2c1)N1CCOCC1
InChi:	InChI=1S/C21H19NO5/c23-17-13-20(22-6-8-24-9-7-22)27-21-15(2-1-3-16(17)21)14-4-5-18-19(12-14)26-11-10-25-18/h1-5,12-13H,6-11H2
Definition date:	2022-04-26
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one

O89

O89
Name:	4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline
Formula:	C18 H20 N3 S
SMILES:	CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n+]2C
InChi:	InChI=1S/C18H20N3S/c1-13-5-10-16-17(11-13)22-18(21(16)4)19-12-14-6-8-15(9-7-14)20(2)3/h5-12H,1-4H3/q+1
Definition date:	2022-08-30
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline

P8O

P8O
Name:	(1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
Formula:	C24 H22 F3 N7 S
SMILES:	N[CH]1c2ccccc2CC13CCN(CC3)c4[nH]c5nc(Sc6cccnc6C(F)(F)F)cnc5n4
InChi:	InChI=1S/C24H22F3N7S/c25-24(26,27)19-16(6-3-9-29-19)35-17-13-30-20-21(31-17)33-22(32-20)34-10-7-23(8-11-34)12-14-4-1-2-5-15(14)18(23)28/h1-6,9,13,18H,7-8,10-12,28H2,(H,30,31,32,33)/t18-/m1/s1
Definition date:	2022-10-03
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

3I4

3I4
Name:	(2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide
Formula:	C12 H18 N4 O6 S
SMILES:	NC(=O)[CH](CO)NC(=O)CNOCc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C12H18N4O6S/c13-12(19)10(6-17)16-11(18)5-15-22-7-8-1-3-9(4-2-8)23(14,20)21/h1-4,10,15,17H,5-7H2,(H2,13,19)(H,16,18)(H2,14,20,21)/t10-/m0/s1
Definition date:	2021-06-25
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(2~{S})-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide

CXI

CXI
Name:	2-(3-phenyloxetan-3-yl)ethanamine
Formula:	C11 H15 N O
SMILES:	NCCC1(COC1)c2ccccc2
InChi:	InChI=1S/C11H15NO/c12-7-6-11(8-13-9-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2
Definition date:	2022-04-06
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	2-(3-phenyloxetan-3-yl)ethanamine

D0I

D0I
Name:	[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol
Formula:	C18 H21 N O
SMILES:	OC[C]1(CCN(Cc2ccccc2)C1)c3ccccc3
InChi:	InChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1
Definition date:	2022-04-06
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol

E6H

E6H
Name:	3-methylbenzoselenoate
Formula:	C8 H8 O Se
SMILES:	Cc1cccc(c1)C([SeH])=O
InChi:	InChI=1S/C8H8OSe/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
Definition date:	2022-01-04
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	3-methylbenzenecarboselenoic Se-acid

E7I

E7I
Name:	benzoselenoate
Formula:	C7 H6 O Se
SMILES:	[SeH]C(=O)c1ccccc1
InChi:	InChI=1S/C7H6OSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Definition date:	2022-01-04
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	benzenecarboselenoic Se-acid

EIQ

EIQ
Name:	~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
Formula:	C18 H16 N2 O2 S
SMILES:	O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3
InChi:	InChI=1S/C18H16N2O2S/c21-23(22,18-4-2-1-3-5-18)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h1-13,20H,14H2
Definition date:	2022-01-07
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

EX9

EX9
Name:	3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide
Formula:	C27 H33 F N6 O2 S
SMILES:	CN(C)CCC[S](=O)(=O)N[CH]1CC[CH](CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc5[nH]ccc45
InChi:	InChI=1S/C27H33FN6O2S/c1-33(2)16-3-17-37(35,36)32-21-8-10-22(11-9-21)34-18-31-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27-24(23)13-15-30-27/h4-7,12-15,18,21-22,32H,3,8-11,16-17H2,1-2H3,(H,29,30)/t21-,22+
Definition date:	2022-01-17
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide

EYI

EYI
Name:	4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H21 F N4
SMILES:	Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45
InChi:	InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25)
Definition date:	2022-01-17
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine

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