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PDB Info pages Status search Chemie search: 43993 results BIRD

YHQ

YHQ
Name:	5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine
Formula:	C13 H20 N5 O7 P
SMILES:	CC(C)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H20N5O7P/c1-6(2)25-26(21,22)23-3-7-9(19)10(20)13(24-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13,19-20H,3H2,1-2H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine

KOO

KOO
Name:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide
Formula:	C52 H54 F2 N7 O10 P S2
SMILES:	O=P(O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)CCCC#Cc1cccc2C(=O)N(Cc21)C1CCC(=O)NC1=O)c1ccc(cc1)c1nccs1)C(C)(C)C
InChi:	InChI=1S/C52H54F2N7O10PS2/c1-51(2,3)44(57-46(65)41-29-33-28-34(16-20-40(33)74-41)52(53,54)72(69,70)71)50(68)60-25-9-13-39(60)49(67)59(35-17-14-32(15-18-35)47-55-23-27-73-47)26-22-43(63)58(4)24-7-5-6-10-31-11-8-12-36-37(31)30-61(48(36)66)38-19-21-42(62)56-45(38)64/h8,11-12,14-18,20,23,27-29,38-39,44H,5,7,9,13,19,21-22,24-26,30H2,1-4H3,(H,57,65)(H,56,62,64)(H2,69,70,71)/t38-,39+,44-/m1/s1
Synonyms:	AK2292
Definition date:	2022-02-08
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide

YHT

YHT
Name:	5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine
Formula:	C13 H16 N5 O7 P
SMILES:	O=P(O)(OCC#C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H16N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine

Y05

Y05
Name:	N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Formula:	C41 H38 Cl F6 N9 O5 S
SMILES:	CC1CN(CC(C)O1)c1cc2N=C(C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC34)N(c3ccc(Cl)c4c(NS(C)(=O)=O)nn(C)c43)C(=O)c2cc1
InChi:	InChI=1S/C41H38ClF6N9O5S/c1-18-15-55(16-19(2)62-18)23-5-6-24-28(13-23)50-39(57(40(24)59)30-8-7-27(42)33-35(30)54(3)52-38(33)53-63(4,60)61)29(11-20-9-21(43)12-22(44)10-20)49-31(58)17-56-36-32(34(51-56)37(45)46)25-14-26(25)41(36,47)48/h5-10,12-13,18-19,25-26,29,37H,11,14-17H2,1-4H3,(H,49,58)(H,52,53)/t18-,19+,25-,26+,29-/m0/s1
Definition date:	2022-12-19
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide

WMO

WMO
Name:	N-(2-methoxyethyl)-4-sulfamoylbenzamide
Formula:	C10 H14 N2 O4 S
SMILES:	O=S(N)(=O)c1ccc(cc1)C(=O)NCCOC
InChi:	InChI=1S/C10H14N2O4S/c1-16-7-6-12-10(13)8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)
Definition date:	2022-09-29
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-(2-methoxyethyl)-4-sulfamoylbenzamide

KP9

KP9
Name:	Bilin 618 (single linked)
Formula:	C33 H36 N4 O6
SMILES:	O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1/C=C/C(=O)O
InChi:	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,26,35H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,28-15-/t26-/m1/s1
Synonyms:	(1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE
Definition date:	2022-02-09
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2E)-3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]prop-2-enoic acid

KPX

KPX
Name:	Bilin 584 (single linked)
Formula:	C33 H38 N4 O6
SMILES:	O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1/C=C/C(=O)O
InChi:	InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,19-20,26,34H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
Synonyms:	(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
Definition date:	2022-02-09
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid

KQ6

KQ6
Name:	Bilin 584 (doubly linked)
Formula:	C33 H40 N4 O6
SMILES:	O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(CC)=C2C)c(C)c1/C=C/C(=O)O
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h9,11,14-15,19-20,26,34H,7-8,10,12-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
Synonyms:	(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
Definition date:	2022-02-09
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid

UX5

UX5
Name:	N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:	C15 H15 N5 O2
SMILES:	CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N)cc3
InChi:	InChI=1S/C15H15N5O2/c1-9-12(8-17-13-6-14(21)19-20(9)13)15(22)18-7-10-2-4-11(16)5-3-10/h2-6,8H,7,16H2,1H3,(H,18,22)(H,19,21)
Synonyms:	~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1,6-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
Definition date:	2021-03-25
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide

76N

76N
Name:	3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one
Formula:	C23 H29 N O6
SMILES:	C[CH]1C=C[CH]2CCCC[CH]2[CH]1C(=O)C3=C(O)C(=CNC3=O)[C]4(O)CC[CH](O)[CH]5O[CH]45
InChi:	InChI=1S/C23H29NO6/c1-11-6-7-12-4-2-3-5-13(12)16(11)19(27)17-18(26)14(10-24-22(17)28)23(29)9-8-15(25)20-21(23)30-20/h6-7,10-13,15-16,20-21,25,29H,2-5,8-9H2,1H3,(H2,24,26,28)/t11-,12+,13+,15+,16+,20+,21+,23-/m1/s1
Definition date:	2022-02-18
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one

MIW

MIW
Name:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide
Formula:	C33 H38 F2 N5 O7 P S2
SMILES:	CN(C)C(=O)CCN(c1ccc2scnc2c1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:	InChI=1S/C33H38F2N5O7PS2/c1-32(2,3)28(37-29(42)26-16-19-15-20(8-10-24(19)50-26)33(34,35)48(45,46)47)31(44)40-13-6-7-23(40)30(43)39(14-12-27(41)38(4)5)21-9-11-25-22(17-21)36-18-49-25/h8-11,15-18,23,28H,6-7,12-14H2,1-5H3,(H,37,42)(H2,45,46,47)/t23-,28+/m0/s1
Definition date:	2022-03-16
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide

MJ6

MJ6
Name:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide
Formula:	C32 H38 Br F2 N4 O7 P S
SMILES:	CN(C)C(=O)CCN(c1ccc(Br)cc1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:	InChI=1S/C32H38BrF2N4O7PS/c1-31(2,3)27(36-28(41)25-18-19-17-20(8-13-24(19)48-25)32(34,35)47(44,45)46)30(43)39-15-6-7-23(39)29(42)38(16-14-26(40)37(4)5)22-11-9-21(33)10-12-22/h8-13,17-18,23,27H,6-7,14-16H2,1-5H3,(H,36,41)(H2,44,45,46)/t23-,27+/m0/s1
Definition date:	2022-03-16
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide

MQX

MQX
Name:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide
Formula:	C34 H39 F2 N4 O8 P S
SMILES:	CN(C)C(=O)CCN(c1cc2ccoc2cc1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:	InChI=1S/C34H39F2N4O8PS/c1-33(2,3)29(37-30(42)27-19-21-17-22(8-11-26(21)50-27)34(35,36)49(45,46)47)32(44)40-14-6-7-24(40)31(43)39(15-12-28(41)38(4)5)23-9-10-25-20(18-23)13-16-48-25/h8-11,13,16-19,24,29H,6-7,12,14-15H2,1-5H3,(H,37,42)(H2,45,46,47)/t24-,29+/m0/s1
Definition date:	2022-03-17
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide

7QX

7QX
Name:	(3S,6S)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dion
Formula:	C12 H22 N2 O4
SMILES:	CC[CH](C)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O
InChi:	InChI=1S/C12H22N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h7-9,15,18H,4-6H2,1-3H3,(H,13,17)(H,14,16)/t7-,8-,9-,12+/m0/s1
Definition date:	2021-10-14
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3~{S},6~{S})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dione

NQF

NQF
Name:	(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
Formula:	C23 H24 N4 O3
SMILES:	NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C
InChi:	InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m1/s1
Definition date:	2022-04-07
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

OIH

OIH
Name:	1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid
Formula:	C28 H32 Cl F N4 O3
SMILES:	CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)=O
InChi:	InChI=1S/C28H32ClFN4O3/c1-18(2)17-34(20-7-4-3-5-8-20)25-13-11-21(33-14-6-9-26(33)27(35)36)16-24(25)32-28(37)31-23-12-10-19(29)15-22(23)30/h6,9-16,18,20H,3-5,7-8,17H2,1-2H3,(H,35,36)(H2,31,32,37)
Definition date:	2023-02-02
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid

OVU

OVU
Name:	(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid
Formula:	C7 H10 O6
SMILES:	O[CH]1C[C](O)([CH]2O[CH]2[CH]1O)C(O)=O
InChi:	InChI=1S/C7H10O6/c8-2-1-7(12,6(10)11)5-4(13-5)3(2)9/h2-5,8-9,12H,1H2,(H,10,11)/t2-,3+,4+,5+,7-/m1/s1
Definition date:	2022-09-21
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid

PVI

PVI
Name:	(4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
Formula:	C7 H11 N O4
SMILES:	N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1
Synonyms:	(4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
Definition date:	2022-10-04
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(4~{R},5~{R})-3-azanyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid

Q6O

Q6O
Name:	N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Formula:	C10 H12 Cl N O3
SMILES:	COc1cc(NC(C)=O)c(cc1Cl)OC
InChi:	InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13)
Definition date:	2022-06-01
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-(4-chloro-2,5-dimethoxyphenyl)acetamide

Q7L

Q7L
Name:	(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole
Formula:	C10 H8 N2 O2
SMILES:	c1cc(cc2OCOc12)c1cc[NH]n1
InChi:	InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
Definition date:	2022-06-01
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

QE0

QE0
Name:	(2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C25 H34 Cl N3 O6
SMILES:	COCCOc1cc(Cl)ccc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3
InChi:	InChI=1S/C25H34ClN3O6/c1-14(2)23(22-10-15(3)28-35-22)25(32)29-13-18(30)12-20(29)24(31)27-16(4)19-7-6-17(26)11-21(19)34-9-8-33-5/h6-7,10-11,14,16,18,20,23,30H,8-9,12-13H2,1-5H3,(H,27,31)/t16-,18+,20-,23+/m0/s1
Definition date:	2022-10-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

QE9

QE9
Name:	(2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C28 H36 N4 O6 S
SMILES:	COCCOc1cc(ccc1CNC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3)c4scnc4C
InChi:	InChI=1S/C28H36N4O6S/c1-16(2)25(24-10-17(3)31-38-24)28(35)32-14-21(33)12-22(32)27(34)29-13-20-7-6-19(26-18(4)30-15-39-26)11-23(20)37-9-8-36-5/h6-7,10-11,15-16,21-22,25,33H,8-9,12-14H2,1-5H3,(H,29,34)/t21-,22+,25-/m1/s1
Definition date:	2022-10-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

QF3

QF3
Name:	(2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C29 H38 N4 O6 S
SMILES:	COCCOc1cc(ccc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3)c4scnc4C
InChi:	InChI=1S/C29H38N4O6S/c1-16(2)26(25-11-17(3)32-39-25)29(36)33-14-21(34)13-23(33)28(35)31-18(4)22-8-7-20(27-19(5)30-15-40-27)12-24(22)38-10-9-37-6/h7-8,11-12,15-16,18,21,23,26,34H,9-10,13-14H2,1-6H3,(H,31,35)/t18-,21+,23-,26+/m0/s1
Definition date:	2022-10-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

QF7

QF7
Name:	(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C29 H38 F N5 O5 S
SMILES:	CNC(=O)C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4scnc4C
InChi:	InChI=1S/C29H38FN5O5S/c1-16-23(41-15-32-16)18-8-6-17(7-9-18)20(13-22(37)31-5)33-25(38)21-12-19(36)14-35(21)26(39)24(28(2,3)4)34-27(40)29(30)10-11-29/h6-9,15,19-21,24,36H,10-14H2,1-5H3,(H,31,37)(H,33,38)(H,34,40)/t19-,20+,21+,24-/m1/s1
Definition date:	2022-10-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide

QFF

QFF
Name:	(2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C24 H28 N4 O5 S
SMILES:	CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NOc2ccc(cc2)c3scnc3C)c4onc(C)c4
InChi:	InChI=1S/C24H28N4O5S/c1-13(2)21(20-9-14(3)26-33-20)24(31)28-11-17(29)10-19(28)23(30)27-32-18-7-5-16(6-8-18)22-15(4)25-12-34-22/h5-9,12-13,17,19,21,29H,10-11H2,1-4H3,(H,27,30)/t17-,19+,21-/m1/s1
Definition date:	2022-10-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide

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