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UQX
UQX
Name:(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
Formula:C31 H30 N6 O3
SMILES:CNC(=O)C1Cc2c3ccccc3[NH]c2CN1C(=O)C(Cc1cccc(C)c1)NC(=O)c1cc2cn[NH]c2cc1
InChi:InChI=1S/C31H30N6O3/c1-18-6-5-7-19(12-18)13-26(35-29(38)20-10-11-24-21(14-20)16-33-36-24)31(40)37-17-27-23(15-28(37)30(39)32-2)22-8-3-4-9-25(22)34-27/h3-12,14,16,26,28,34H,13,15,17H2,1-2H3,(H,32,39)(H,33,36)(H,35,38)/t26-,28-/m1/s1
Definition date:2023-09-06
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
ZLO
ZLO
Name:~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
Formula:C5 H7 N3 O S2
SMILES:CSc1nsc(NC(C)=O)n1
InChi:InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9)
Definition date:2023-06-28
Last modified:2024-01-26
Release date:2024-01-31
Identifier:~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
ZLT
ZLT
Name:~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
Formula:C10 H12 N2 O3 S
SMILES:O=C(NC(=S)N1CCOCC1)c2occc2
InChi:InChI=1S/C10H12N2O3S/c13-9(8-2-1-5-15-8)11-10(16)12-3-6-14-7-4-12/h1-2,5H,3-4,6-7H2,(H,11,13,16)
Definition date:2023-06-28
Last modified:2024-01-26
Release date:2024-01-31
Identifier:~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
ZLX
ZLX
Name:methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Formula:C11 H13 N O5
SMILES:COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
InChi:InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1
Definition date:2023-06-28
Last modified:2024-01-26
Release date:2024-01-31
Identifier:methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
ZMI
ZMI
Name:~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
Formula:C11 H10 F N3 O2
SMILES:Cc1onc(c1)C(=O)NNc2ccccc2F
InChi:InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16)
Definition date:2023-06-28
Last modified:2024-01-26
Release date:2024-01-31
Identifier:~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
GKO
GKO
Name:(2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide
Formula:C22 H27 N7 O2
SMILES:CN1CCN(C[CH]1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N
InChi:InChI=1S/C22H27N7O2/c1-3-4-5-10-24-21(30)17-6-8-18(9-7-17)29-14-20(25-16-29)26-22(31)19-13-28(15-23)12-11-27(19)2/h1,6-9,14-16,19,23H,4-5,10-13H2,2H3,(H,24,30)(H,26,31)
Definition date:2023-07-21
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide
U1L
U1L
Name:4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide
Formula:C15 H17 N5 O3
SMILES:C[CH](Nc1nc(nc2ccccc12)C(=O)NCC=C)C(=O)NO
InChi:InChI=1S/C15H17N5O3/c1-3-8-16-15(22)13-18-11-7-5-4-6-10(11)12(19-13)17-9(2)14(21)20-23/h3-7,9,23H,1,8H2,2H3,(H,16,22)(H,20,21)(H,17,18,19)/t9-/m0/s1
Definition date:2023-01-19
Last modified:2024-01-26
Release date:2024-01-31
Identifier:4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide
U2C
U2C
Name:(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
Formula:C17 H17 Cl N4 O3
SMILES:C[CH](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO
InChi:InChI=1S/C17H17ClN4O3/c1-10(16(23)22-24)7-15-13-8-11(18)4-5-14(13)20-17(21-15)19-9-12-3-2-6-25-12/h2-6,8,10,24H,7,9H2,1H3,(H,22,23)(H,19,20,21)/t10-/m1/s1
Definition date:2023-01-19
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
U2O
U2O
Name:(2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
Formula:C15 H17 Cl N4 O2
SMILES:C[CH](Cc1nc(NCC=C)nc2ccc(Cl)cc12)C(=O)NO
InChi:InChI=1S/C15H17ClN4O2/c1-3-6-17-15-18-12-5-4-10(16)8-11(12)13(19-15)7-9(2)14(21)20-22/h3-5,8-9,22H,1,6-7H2,2H3,(H,20,21)(H,17,18,19)/t9-/m1/s1
Definition date:2023-01-20
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
A1H2D
A1H2D
Name:(2~{S})-2-azanyl-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]propanoic acid
Formula:C11 H14 N2 O2
SMILES:N[CH](C[CH]1CNc2ccccc12)C(O)=O
InChi:InChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7-,9+/m1/s1
Definition date:2024-01-17
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(2~{S})-2-azanyl-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]propanoic acid
A1H2E
A1H2E
Name:1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine
Formula:C17 H24 N4 O3 P
SMILES:N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2
InChi:InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1
Definition date:2024-01-17
Last modified:2024-01-26
Release date:2024-01-31
Identifier:[azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium
A1ABZ
A1ABZ
Name:(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
Formula:C18 H19 N4 O7 P
SMILES:O=C(O)C(Cc1c[NH]c2ncccc21)=NC=C1/C(O)=C(C)NC=C1COP(=O)(O)O
InChi:InChI=1S/C18H19N4O7P/c1-10-16(23)14(12(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)5-11-6-22-17-13(11)3-2-4-19-17/h2-4,6-8,20,23H,5,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)/b14-8-,21-15+
Definition date:2024-01-05
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
A1ACN
A1ACN
Name:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine
Formula:C18 H19 N4 O7 P
SMILES:O=P(O)(O)OCc1cnc(C)c(O)c1/C=N/C(Cc1c[NH]c2ncccc21)C(=O)O
InChi:InChI=1S/C18H19N4O7P/c1-10-16(23)14(12(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)5-11-6-22-17-13(11)3-2-4-19-17/h2-4,6-8,15,23H,5,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)
Definition date:2024-01-14
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine
CTQ
CTQ
Name:(2~{R},4~{R},5~{S},6~{S})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{S})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid
Formula:C102 H190 N2 O32 P2
SMILES:CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](O)CCCCCCCCCCC)[CH](OC(=O)C[CH](O)CCCCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O
InChi:InChI=1S/C102H190N2O32P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-88(113)129-80(66-60-54-48-42-35-29-23-17-11-5)72-90(115)133-98-92(104-86(111)71-79(65-59-53-47-41-34-28-22-16-10-4)128-87(112)67-61-55-49-43-36-30-24-18-12-6)99(131-84(96(98)135-137(120,121)122)76-127-102(101(118)119)73-81(108)93(116)95(134-102)82(109)74-105)126-75-83-94(117)97(132-89(114)70-78(107)64-58-52-46-40-33-27-21-15-9-3)91(100(130-83)136-138(123,124)125)103-85(110)69-77(106)63-57-51-45-39-32-26-20-14-8-2/h77-84,91-100,105-109,116-117H,7-76H2,1-6H3,(H,103,110)(H,104,111)(H,118,119)(H2,120,121,122)(H2,123,124,125)/t77-,78-,79-,80+,81-,82-,83-,84-,91+,92-,93+,94+,95+,96-,97-,98+,99+,100+,102-/m1/s1
Definition date:2023-07-17
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(2~{R},4~{R},5~{S},6~{S})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{S})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid
JUU
JUU
Name:[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid
Formula:C18 H22 N2 O3
SMILES:N[CH](Cc1ccccc1)[CH](O)CN(Cc2ccccc2)C(O)=O
InChi:InChI=1S/C18H22N2O3/c19-16(11-14-7-3-1-4-8-14)17(21)13-20(18(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,21H,11-13,19H2,(H,22,23)/t16-,17+/m0/s1
Definition date:2023-08-09
Last modified:2024-01-26
Release date:2024-01-31
Identifier:[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid
EFH
EFH
Name:(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one
Formula:C28 H24 F N5 O4
SMILES:Fc1cccc(c1)[CH]2[CH](N(C3CCN(CC3)C(=O)n4nnc5ccccc45)C2=O)c6ccc7OCOc7c6
InChi:InChI=1S/C28H24FN5O4/c29-19-5-3-4-17(14-19)25-26(18-8-9-23-24(15-18)38-16-37-23)33(27(25)35)20-10-12-32(13-11-20)28(36)34-22-7-2-1-6-21(22)30-31-34/h1-9,14-15,20,25-26H,10-13,16H2/t25-,26-/m1/s1
Definition date:2023-07-18
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one
F28
F28
Name:4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde
Formula:C21 H22 N2 O2
SMILES:O=CN1CCC(CC1)N2[CH]([CH](C2=O)c3ccccc3)c4ccccc4
InChi:InChI=1S/C21H22N2O2/c24-15-22-13-11-18(12-14-22)23-20(17-9-5-2-6-10-17)19(21(23)25)16-7-3-1-4-8-16/h1-10,15,18-20H,11-14H2/t19-,20+/m1/s1
Definition date:2023-07-18
Last modified:2024-01-26
Release date:2024-01-31
Identifier:4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde
EJI
EJI
Name:methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate
Formula:C23 H23 F N2 O4
SMILES:COC(=O)c1ccc(cc1)[CH]2[CH](C(=O)N2C3CCN(CC3)C=O)c4ccc(F)cc4
InChi:InChI=1S/C23H23FN2O4/c1-30-23(29)17-4-2-16(3-5-17)21-20(15-6-8-18(24)9-7-15)22(28)26(21)19-10-12-25(14-27)13-11-19/h2-9,14,19-21H,10-13H2,1H3/t20-,21+/m1/s1
Definition date:2023-07-18
Last modified:2024-01-26
Release date:2024-01-31
Identifier:methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate
DNU
DNU
Name:1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one
Formula:C34 H33 F3 N6 O3
SMILES:OCCC(=O)N1CCN(CC1)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(ncc25)c6cccc7ccc(F)c(C#C)c67
InChi:InChI=1S/C34H33F3N6O3/c1-2-23-26(36)8-7-21-5-3-6-24(28(21)23)30-29(37)31-25(18-38-30)32(42-14-12-41(13-15-42)27(45)9-16-44)40-33(39-31)46-20-34-10-4-11-43(34)19-22(35)17-34/h1,3,5-8,18,22,44H,4,9-17,19-20H2/t22-,34+/m1/s1
Definition date:2023-06-02
Last modified:2024-01-26
Release date:2024-01-31
Identifier:1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one
DWI
DWI
Name:(2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one
Formula:C34 H33 F3 N6 O3
SMILES:C[CH](O)C(=O)N1CCN(CC1)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(ncc25)c6cccc7ccc(F)c(C#C)c67
InChi:InChI=1S/C34H33F3N6O3/c1-3-23-26(36)9-8-21-6-4-7-24(27(21)23)29-28(37)30-25(17-38-29)31(41-12-14-42(15-13-41)32(45)20(2)44)40-33(39-30)46-19-34-10-5-11-43(34)18-22(35)16-34/h1,4,6-9,17,20,22,44H,5,10-16,18-19H2,2H3/t20-,22+,34-/m0/s1
Definition date:2023-06-06
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one
86F
86F
Name:(3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide
Formula:C12 H19 N3 O S
SMILES:CSC(=N)N1CC[CH](C1)C(=O)NCCCC#C
InChi:InChI=1S/C12H19N3OS/c1-3-4-5-7-14-11(16)10-6-8-15(9-10)12(13)17-2/h1,10,13H,4-9H2,2H3,(H,14,16)/b13-12-/t10-/m0/s1
Definition date:2023-07-10
Last modified:2024-01-26
Release date:2024-01-31
Identifier:methyl (3~{S})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioate
87Q
87Q
Name:Z-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
Formula:C21 H36 O5
SMILES:CCCCC[C](C)(O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O
InChi:InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1
Synonyms:7-[3,5-Dihydroxy-2-(3-hydroxy-3-methyloct-1-enyl)cyclopentyl]hept-5-enoic acid
Definition date:2023-03-22
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{S})-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
O4U
O4U
Name:~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide
Formula:C28 H26 N6 O2
SMILES:CNC(=O)c1ccc2n(cnc2c1)c3ccc(CNC(=O)c4cc(Cc5ccccc5)n(C)n4)cc3
InChi:InChI=1S/C28H26N6O2/c1-29-27(35)21-10-13-26-24(15-21)31-18-34(26)22-11-8-20(9-12-22)17-30-28(36)25-16-23(33(2)32-25)14-19-6-4-3-5-7-19/h3-13,15-16,18H,14,17H2,1-2H3,(H,29,35)(H,30,36)
Definition date:2023-01-23
Last modified:2024-01-26
Release date:2024-01-31
Identifier:~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide
8RX
8RX
Name:(3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid
Formula:C11 H17 N3 O S
SMILES:SC(=N)N1CC[CH](C1)C(=O)NCCCC#C
InChi:InChI=1S/C11H17N3OS/c1-2-3-4-6-13-10(15)9-5-7-14(8-9)11(12)16/h1,9H,3-8H2,(H2,12,16)(H,13,15)/t9-/m1/s1
Definition date:2023-07-14
Last modified:2024-01-26
Release date:2024-01-31
Identifier:(3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid
R6I
R6I
Name:~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide
Formula:C20 H26 N4 O5 S
SMILES:COc1cc2NN(CC[S](C)(=O)=O)Cc2cc1NC(=O)c3cccc(n3)C(C)(C)O
InChi:InChI=1S/C20H26N4O5S/c1-20(2,26)18-7-5-6-14(21-18)19(25)22-16-10-13-12-24(8-9-30(4,27)28)23-15(13)11-17(16)29-3/h5-7,10-11,23,26H,8-9,12H2,1-4H3,(H,22,25)
Definition date:2022-11-23
Last modified:2024-01-26
Release date:2024-01-31
Identifier:~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide

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