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JFO

JFO
Name:	(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine
Formula:	C17 H14 Cl N5 O
SMILES:	Clc1ccccc1c1nc(C)c2c(N)nc3ccc(OC)nc3n21
InChi:	InChI=1S/C17H14ClN5O/c1-9-14-15(19)21-12-7-8-13(24-2)22-17(12)23(14)16(20-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H2,19,21)
Definition date:	2022-02-01
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine

JIY

JIY
Name:	2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole
Formula:	C18 H20 N4 O S
SMILES:	Cc1c(OC)c(C)cnc1CSc1nc2cc3NCCc3cc2[NH]1
InChi:	InChI=1S/C18H20N4OS/c1-10-8-20-16(11(2)17(10)23-3)9-24-18-21-14-6-12-4-5-19-13(12)7-15(14)22-18/h6-8,19H,4-5,9H2,1-3H3,(H,21,22)
Definition date:	2022-02-01
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole

JM0

JM0
Name:	N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide
Formula:	C15 H19 N5 O3 S
SMILES:	CS(=O)(=O)Nc1nc2ccc(OC)nc2n2c1c(C)nc2CCC
InChi:	InChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19)
Definition date:	2022-02-01
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide

NVR

NVR
Name:	(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione
Formula:	C23 H21 N3 O5
SMILES:	O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1=C(O)C(=O)N2
InChi:	InChI=1S/C23H21N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h1-8,13-14,27H,9-12H2,(H,24,28)(H,25,26,29)/b2-1-
Synonyms:	SJ001034732-1 (Cis-form)
Definition date:	2022-04-11
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione

R50

R50
Name:	2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form
Formula:	C22 H25 N3 O
SMILES:	CC(C)C(=O)n1cc(C)c2c1cncc2c1ccc2CN(C)CCc2c1
InChi:	InChI=1S/C22H25N3O/c1-14(2)22(26)25-12-15(3)21-19(10-23-11-20(21)25)17-5-6-18-13-24(4)8-7-16(18)9-17/h5-6,9-12,14H,7-8,13H2,1-4H3
Definition date:	2022-06-16
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]propan-1-one

IXL

IXL
Name:	4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:	C23 H26 N6 O2
SMILES:	O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1C)N1CCC1
InChi:	InChI=1S/C23H26N6O2/c1-15-6-3-4-7-17(15)19-14-29-11-8-16(12-20(29)26-19)25-22(30)21-18(13-24-27(21)2)23(31)28-9-5-10-28/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1
Definition date:	2022-02-01
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

L5L

L5L
Name:	(4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Formula:	C14 H15 N O S
SMILES:	COc1ccc(cc1)C1NCCc2sccc21
InChi:	InChI=1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3/t14-/m1/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

L6F

L6F
Name:	(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:	C15 H16 N2
SMILES:	Nc1cccc2c1CCNC2c1ccccc1
InChi:	InChI=1S/C15H16N2/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8,15,17H,9-10,16H2/t15-/m1/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine

LU9

LU9
Name:	[(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate
Formula:	C93 H164 N2 O39 P2
SMILES:	CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH](O[P]([O-])([O-])=O)[CH](OC(=O)CCOC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[CH](O[P]([O-])([O-])=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCC
InChi:	InChI=1S/C93H168N2O39P2/c1-6-11-16-21-26-30-34-38-43-48-64(99)55-77(108)129-86-78(94-72(103)54-63(98)47-42-37-33-29-24-19-14-9-4)89(134-136(119,120)121)126-70(82(86)111)61-123-88-79(95-73(104)56-65(49-44-39-35-31-27-22-17-12-7-2)125-75(106)51-46-41-36-32-28-23-18-13-8-3)87(128-76(107)52-53-122-74(105)50-45-40-25-20-15-10-5)85(133-135(116,117)118)71(127-88)62-124-92(90(112)113)58-69(81(110)84(131-92)68(102)60-97)130-93(91(114)115)57-66(100)80(109)83(132-93)67(101)59-96/h63-71,78-89,96-102,109-111H,6-62H2,1-5H3,(H,94,103)(H,95,104)(H,112,113)(H,114,115)(H2,116,117,118)(H2,119,120,121)/p-4/t63-,64+,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,92-,93-/m1/s1
Synonyms:	LIPOPOLYSACCHARIDE
Definition date:	2022-07-12
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-4-[(3~{S})-3-oxidanyltetradecanoyl]oxy-5-[[(3~{R})-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate

8KQ

8KQ
Name:	2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid
Formula:	C20 H17 F3 N2 O2
SMILES:	FC(F)(F)c1ccc(NC2Cc3c4ccccc4[NH]c3CC2)c(c1)C(=O)O
InChi:	InChI=1S/C20H17F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-5,7,9,12,24-25H,6,8,10H2,(H,26,27)/t12-/m1/s1
Definition date:	2021-09-22
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid

92S

92S
Name:	1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
Formula:	C24 H28 F N3 O
SMILES:	CN1CCN2[CH]3CCN(CCCC(=O)c4ccc(F)cc4)C[CH]3c5cccc1c25
InChi:	InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1
Synonyms:	lumateperone
Definition date:	2022-01-01
Last modified:	2022-09-27
Release date:	2022-01-26
Identifier:	1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one

7LD

7LD
Name:	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
Formula:	C20 H25 N3 O
SMILES:	n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C
InChi:	InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
Synonyms:	Lysergic acid diethylamide
Definition date:	2016-11-10
Last modified:	2022-09-27
Release date:	2017-02-01
Identifier:	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide

W58

W58
Name:	5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine
Formula:	C13 H15 N
SMILES:	C1CC=C(CN1)c2ccc3CCc3c2
InChi:	InChI=1S/C13H15N/c1-2-13(9-14-7-1)12-6-4-10-3-5-11(10)8-12/h2,4,6,8,14H,1,3,5,7,9H2
Definition date:	2021-12-09
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine

GI0

GI0
Name:	3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one
Formula:	C21 H26 N6 O S
SMILES:	Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCN(CC4)Cc5n[nH]cc5C
InChi:	InChI=1S/C21H26N6OS/c1-13-10-22-25-16(13)11-26-6-8-27(9-7-26)21-24-17(12-29-21)20-15-4-3-5-18(28)19(15)14(2)23-20/h10,12,23H,3-9,11H2,1-2H3,(H,22,25)
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one

GJI

GJI
Name:	3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one
Formula:	C16 H20 N4 O S
SMILES:	Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNCC4
InChi:	InChI=1S/C16H20N4OS/c1-10-14-11(3-2-4-13(14)21)15(18-10)12-9-22-16(19-12)20-7-5-17-6-8-20/h9,17-18H,2-8H2,1H3
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one

GQX

GQX
Name:	2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine
Formula:	C13 H15 N5 O S
SMILES:	Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3
InChi:	InChI=1S/C13H15N5OS/c1-6-10-7(3-2-4-9(10)19)11(16-6)8-5-20-13(17-8)18-12(14)15/h5,16H,2-4H2,1H3,(H4,14,15,17,18)
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine

JRP

JRP
Name:	(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one
Formula:	C13 H13 N O2
SMILES:	O=C1Nc2ccccc2[C]34OCC[CH]3C[CH]14
InChi:	InChI=1S/C13H13NO2/c15-12-10-7-8-5-6-16-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13+/m1/s1
Synonyms:	(3aS,4aR,10bR)-3,3a,4,4a-tetrahydro-2H-furo[2',3':2,3]cyclobuta[1,2-c]quinolin-5(6H)-one
Definition date:	2022-05-09
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one

QI8

QI8
Name:	2,3,5,6-tetrafluoro-N-hydroxybenzamide
Formula:	C7 H3 F4 N O2
SMILES:	Fc1c(C(=O)NO)c(F)c(F)cc1F
InChi:	InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,5,6-tetrafluoro-N-hydroxybenzamide

UBO

UBO
Name:	beta-D-rhamnopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(C)OC(O)C1O
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m1/s1
Synonyms:	6-deoxy-beta-D-mannopyranose
Definition date:	2022-08-16
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	6-deoxy-beta-D-mannopyranose

LWR

LWR
Name:	(3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone
Formula:	C53 H84 N2 O13
SMILES:	OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=NOCC)/C1)CCC2C
InChi:	InChI=1S/C53H84N2O13/c1-12-66-54-41-31-45(35(5)28-39-22-24-43(56)46(29-39)64-10)67-52(61)42-20-16-17-25-55(42)51(60)50(59)53(62)38(8)21-23-40(68-53)30-44(63-9)33(3)19-15-13-14-18-32(2)26-36(6)47(57)49(65-11)48(58)37(7)27-34(41)4/h13-15,18-19,27,32,34-36,38-40,42-46,48-49,56,58,62H,12,16-17,20-26,28-31H2,1-11H3/b15-13+,18-14+,33-19+,37-27+,54-41-/t32-,34-,35-,36-,38-,39+,40+,42+,43-,44+,45+,46-,48-,49+,53-/m1/s1
Definition date:	2022-03-09
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone

IZR

IZR
Name:	(2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C50 H59 Cl F N9 O5 S3
SMILES:	Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCCCCCSC(C)(C)[CH](NC(=O)C4(F)CC4)C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)N=C(c8ccc(Cl)cc8)c2c1C
InChi:	InChI=1S/C50H59ClFN9O5S3/c1-28-30(3)69-47-40(28)41(33-15-17-35(51)18-16-33)56-37(44-59-58-31(4)61(44)47)24-39(63)53-21-9-7-8-10-22-68-49(5,6)43(57-48(66)50(52)19-20-50)46(65)60-26-36(62)23-38(60)45(64)54-25-32-11-13-34(14-12-32)42-29(2)55-27-67-42/h11-18,27,36-38,43,62H,7-10,19-26H2,1-6H3,(H,53,63)(H,54,64)(H,57,66)/t36-,37+,38+,43-/m1/s1
Definition date:	2022-04-22
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	(2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

8ZF

8ZF
Name:	11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one
Formula:	C24 H27 F2 N5 O4
SMILES:	CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c5c(F)c(OC)cc(OC)c5F
InChi:	InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
Synonyms:	Pemigatinib
Definition date:	2021-12-28
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one

7UO

7UO
Name:	~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:	C21 H25 N6 O3
SMILES:	CCN1Cc2cc(CNC(=O)c3cnc4CC(=O)N[n+]4c3C)ccc2NCCC1=O
InChi:	InChI=1S/C21H24N6O3/c1-3-26-12-15-8-14(4-5-17(15)22-7-6-20(26)29)10-24-21(30)16-11-23-18-9-19(28)25-27(18)13(16)2/h4-5,8,11,22H,3,6-7,9-10,12H2,1-2H3,(H-,24,25,28,30)/p+1
Definition date:	2021-09-03
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide

7X9

7X9
Name:	(12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
Formula:	C14 H12 F N O3
SMILES:	C[CH]1CCc2cc(F)cc3C(=O)C(=CN1c23)C(O)=O
InChi:	InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m1/s1
Definition date:	2021-09-09
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	(12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid

OJC

OJC
Name:	(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione
Formula:	C15 H21 N5 O13 P2
SMILES:	Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC2C1O)C(O)C3O
InChi:	InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)11-6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)9(22)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
Definition date:	2022-05-06
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione

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