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IWU

IWU
Name:	6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine
Formula:	C5 H3 Br N4
SMILES:	Brc1cnc2[nH]nnc2c1
InChi:	InChI=1S/C5H3BrN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10)
Definition date:	2022-04-14
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	6-bromanyl-3~{H}-[1,2,3]triazolo[4,5-b]pyridine

8II

8II
Name:	3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol
Formula:	C18 H18 Cl N5 O
SMILES:	OCCCNc1nccc(c1)c1ccnc(Nc2cc(Cl)ccc2)n1
InChi:	InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
Definition date:	2021-09-20
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol

8O9

8O9
Name:	(3S)-piperidin-3-ol
Formula:	C5 H11 N O
SMILES:	O[CH]1CCCNC1
InChi:	InChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/t5-/m0/s1
Synonyms:	(S)-3-Hydroxypiperidine
Definition date:	2021-10-28
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(3~{S})-piperidin-3-ol

8PB

8PB
Name:	(3R)-1-methylpyrrolidin-3-ol
Formula:	C5 H11 N O
SMILES:	CN1CC[CH](O)C1
InChi:	InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m1/s1
Synonyms:	(R)-3-Hydroxy-1-methylpyrrolidine
Definition date:	2021-10-28
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(3~{R})-1-methylpyrrolidin-3-ol

8QR

8QR
Name:	(3R)-3-aminopyrrolidin-2-one
Formula:	C4 H8 N2 O
SMILES:	N[CH]1CCNC1=O
InChi:	InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1
Synonyms:	(3R)-3-azanylpyrrolidin-2-one
Definition date:	2021-10-28
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(3~{R})-3-azanylpyrrolidin-2-one

8R1

8R1
Name:	(R)-2-Aminobutanamide
Formula:	C4 H10 N2 O
SMILES:	CC[CH](N)C(N)=O
InChi:	InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1
Synonyms:	(2R)-2-azanylbutanamide
Definition date:	2021-10-28
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(2~{R})-2-azanylbutanamide

I80

I80
Name:	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C24 H30 F3 N3 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(OC(F)(F)F)cc1
InChi:	InChI=1S/C24H30F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,13-14,17,19-20,31H,7-12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1
Definition date:	2021-10-01
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide

IFW

IFW
Name:	(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide
Formula:	C20 H28 N6 O5
SMILES:	CC(C)C[CH](C(=O)NO)C(=O)NCCn1cc(COc2ccccc2NC(C)=O)nn1
InChi:	InChI=1S/C20H28N6O5/c1-13(2)10-16(20(29)24-30)19(28)21-8-9-26-11-15(23-25-26)12-31-18-7-5-4-6-17(18)22-14(3)27/h4-7,11,13,16,30H,8-10,12H2,1-3H3,(H,21,28)(H,22,27)(H,24,29)/t16-/m1/s1
Definition date:	2022-03-17
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide

EQK

EQK
Name:	N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide
Formula:	C20 H17 F3 N6 O3 S
SMILES:	COc1ncnc(OC)c1C(=O)Nc2sc(c3ccnc(c3)C(C)(C)C#N)c(n2)C(F)(F)F
InChi:	InChI=1S/C20H17F3N6O3S/c1-19(2,8-24)11-7-10(5-6-25-11)13-14(20(21,22)23)28-18(33-13)29-15(30)12-16(31-3)26-9-27-17(12)32-4/h5-7,9H,1-4H3,(H,28,29,30)
Definition date:	2022-04-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	~{N}-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide

828

828
Name:	N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
Formula:	C22 H19 Cl N8 O4 S
SMILES:	Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(/C=C/S(N)(=O)=O)c3C2=O)cn1
InChi:	InChI=1S/C22H19ClN8O4S/c1-29-11-15(9-27-29)3-2-7-30-14-26-21-20(22(30)33)16(5-8-36(24,34)35)12-31(21)13-19(32)28-18-4-6-25-10-17(18)23/h4-6,8-12,14H,7,13H2,1H3,(H2,24,34,35)(H,25,28,32)/b8-5+
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide

85O

85O
Name:	12-methoxy-Nb-methylvoachalotine
Formula:	C24 H31 N2 O4
SMILES:	O=C(OC)C1(CO)C2Cc3c(C4CC1C(=CC)/C[N+]24C)n(C)c1c(OC)cccc31
InChi:	InChI=1S/C24H31N2O4/c1-6-14-12-26(3)18-11-17(14)24(13-27,23(28)30-5)20(26)10-16-15-8-7-9-19(29-4)22(15)25(2)21(16)18/h6-9,17-18,20,27H,10-13H2,1-5H3/q+1/b14-6-/t17-,18-,20-,24+,26-/m0/s1
Definition date:	2021-09-06
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(4R,19E)-16-(hydroxymethyl)-12,17-dimethoxy-1,4-dimethyl-17-oxosarpagan-4-ium

LX6

LX6
Name:	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Formula:	C9 H10 N2 S
SMILES:	N#Cc1c2CCCCc2sc1N
InChi:	InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
Definition date:	2022-03-09
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

LXD

LXD
Name:	(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
Formula:	C30 H37 N9 O2 S
SMILES:	C[CH]1CN(C)CCN1c2cc(cc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(=O)C=C
InChi:	InChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1
Definition date:	2022-07-18
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile

LXK

LXK
Name:	2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
Formula:	C11 H14 N2 S
SMILES:	CC1(C)CCCc2sc(N)c(C#N)c12
InChi:	InChI=1S/C11H14N2S/c1-11(2)5-3-4-8-9(11)7(6-12)10(13)14-8/h3-5,13H2,1-2H3
Definition date:	2022-07-18
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile

LXU

LXU
Name:	(4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
Formula:	C18 H17 N5 O S
SMILES:	C[C]1(CCCc2sc(N)c(C#N)c12)c3onc(n3)c4ccc(N)cc4
InChi:	InChI=1S/C18H17N5OS/c1-18(8-2-3-13-14(18)12(9-19)15(21)25-13)17-22-16(23-24-17)10-4-6-11(20)7-5-10/h4-7H,2-3,8,20-21H2,1H3/t18-/m0/s1
Definition date:	2022-07-18
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile

7RH

7RH
Name:	(E)-3-(7-(2-((3-chloropyridin-4-yl)amino)-2-oxoethyl)-3-(3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)acrylamide
Formula:	C23 H19 Cl N8 O3
SMILES:	Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(/C=C/C(N)=O)c3C2=O)cn1
InChi:	InChI=1S/C23H19ClN8O3/c1-30-11-15(9-28-30)3-2-8-31-14-27-22-21(23(31)35)16(4-5-19(25)33)12-32(22)13-20(34)29-18-6-7-26-10-17(18)24/h4-7,9-12,14H,8,13H2,1H3,(H2,25,33)(H,26,29,34)/b5-4+
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(2E)-3-(7-{2-[(3-chloropyridin-4-yl)amino]-2-oxoethyl}-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enamide

7RL

7RL
Name:	N-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
Formula:	C20 H16 Cl F N6 O2
SMILES:	Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccccc1F
InChi:	InChI=1S/C20H16ClFN6O2/c21-14-10-23-7-5-16(14)25-17(29)11-28-8-6-13-18(28)26-20(27-19(13)30)24-9-12-3-1-2-4-15(12)22/h1-8,10H,9,11H2,(H,23,25,29)(H2,24,26,27,30)
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide

7RR

7RR
Name:	2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide
Formula:	C13 H11 Cl N6 O2
SMILES:	Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(N)=Nc21
InChi:	InChI=1S/C13H11ClN6O2/c14-8-5-16-3-1-9(8)17-10(21)6-20-4-2-7-11(20)18-13(15)19-12(7)22/h1-5H,6H2,(H,16,17,21)(H3,15,18,19,22)
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide

7RW

7RW
Name:	N-(3-chloropyridin-4-yl)-2-(3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
Formula:	C17 H17 Cl N6 O2
SMILES:	Clc1cnccc1NC(=O)Cn1ccc2c1nc(nc2O)NCC1CC1
InChi:	InChI=1S/C17H17ClN6O2/c18-12-8-19-5-3-13(12)21-14(25)9-24-6-4-11-15(24)22-17(23-16(11)26)20-7-10-1-2-10/h3-6,8,10H,1-2,7,9H2,(H,19,21,25)(H2,20,22,23,26)
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(3-chloropyridin-4-yl)-2-{2-[(cyclopropylmethyl)amino]-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide

7S0

7S0
Name:	N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
Formula:	C22 H21 Cl N6 O4
SMILES:	Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccc(OC)cc1OC
InChi:	InChI=1S/C22H21ClN6O4/c1-32-14-4-3-13(18(9-14)33-2)10-25-22-27-20-15(21(31)28-22)6-8-29(20)12-19(30)26-17-5-7-24-11-16(17)23/h3-9,11H,10,12H2,1-2H3,(H,24,26,30)(H2,25,27,28,31)
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide

7S5

7S5
Name:	2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide
Formula:	C20 H17 Cl N6 O2
SMILES:	Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccccc1
InChi:	InChI=1S/C20H17ClN6O2/c21-15-11-22-8-6-16(15)24-17(28)12-27-9-7-14-18(27)25-20(26-19(14)29)23-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,22,24,28)(H2,23,25,26,29)
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide

PXV

PXV
Name:	N-(8-hydroxyoctyl)-4-methoxybenzamide
Formula:	C16 H25 N O3
SMILES:	C(CO)CCCCCCNC(c1ccc(cc1)OC)=O
InChi:	InChI=1S/C16H25NO3/c1-20-15-10-8-14(9-11-15)16(19)17-12-6-4-2-3-5-7-13-18/h8-11,18H,2-7,12-13H2,1H3,(H,17,19)
Definition date:	2019-08-28
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(8-hydroxyoctyl)-4-methoxybenzamide

Q3R

Q3R
Name:	~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
Formula:	C51 H58 F3 N9 O7 S
SMILES:	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C
InChi:	InChI=1S/C51H58F3N9O7S/c1-30-44(71-29-58-30)33-10-8-31(9-11-33)26-57-48(69)41-24-36(64)28-63(41)49(70)45(50(2,3)4)60-42(65)7-6-18-55-46(67)34-14-12-32(13-15-34)35-16-17-40(62-21-19-61(5)20-22-62)39(23-35)59-47(68)37-27-56-43(66)25-38(37)51(52,53)54/h8-17,23,25,27,29,36,41,45,64H,6-7,18-22,24,26,28H2,1-5H3,(H,55,67)(H,56,66)(H,57,69)(H,59,68)(H,60,65)/t36-,41+,45-/m1/s1
Definition date:	2022-10-12
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide

Q3X

Q3X
Name:	~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-3~{H}-pyridine-3-carboxamide
Formula:	C58 H72 F3 N9 O11 S
SMILES:	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCOCCOCCOCCOCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C
InChi:	InChI=1S/C58H72F3N9O11S/c1-37-51(82-36-65-37)40-8-6-38(7-9-40)33-64-55(76)48-31-43(71)35-70(48)56(77)52(57(2,3)4)67-49(72)16-22-78-24-26-80-28-29-81-27-25-79-23-17-62-53(74)41-12-10-39(11-13-41)42-14-15-47(69-20-18-68(5)19-21-69)46(30-42)66-54(75)44-34-63-50(73)32-45(44)58(59,60)61/h6-15,30,32,34,36,43,48,52,71H,16-29,31,33,35H2,1-5H3,(H,62,74)(H,63,73)(H,64,76)(H,66,75)(H,67,72)/t43-,48+,52-/m1/s1
Definition date:	2022-10-12
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	~{N}-[5-[4-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide

Q43

Q43
Name:	~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
Formula:	C56 H60 F3 N9 O7 S
SMILES:	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCc5ccc(CC(=O)N[CH](C(=O)N6C[CH](O)C[CH]6C(=O)NCc7ccc(cc7)c8scnc8C)C(C)(C)C)cc5
InChi:	InChI=1S/C56H60F3N9O7S/c1-33-49(76-32-63-33)38-12-10-36(11-13-38)29-62-53(74)46-26-41(69)31-68(46)54(75)50(55(2,3)4)65-48(71)24-34-6-8-35(9-7-34)28-61-51(72)39-16-14-37(15-17-39)40-18-19-45(67-22-20-66(5)21-23-67)44(25-40)64-52(73)42-30-60-47(70)27-43(42)56(57,58)59/h6-19,25,27,30,32,41,46,50,69H,20-24,26,28-29,31H2,1-5H3,(H,60,70)(H,61,72)(H,62,74)(H,64,73)(H,65,71)/t41-,46+,50-/m1/s1
Definition date:	2022-10-13
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide

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