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R2K

R2K
Name:	(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium
Formula:	C3 H2 Na2 O4
SMILES:	[Na]OC(=O)CC(=O)O[Na]
InChi:	InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7
Definition date:	2020-08-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium

R2Q

R2Q
Name:	3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile
Formula:	C20 H13 N3
SMILES:	N#Cc1cccc(c1)c2ccc3nc(cn3c2)c4ccccc4
InChi:	InChI=1S/C20H13N3/c21-12-15-5-4-8-17(11-15)18-9-10-20-22-19(14-23(20)13-18)16-6-2-1-3-7-16/h1-11,13-14H
Definition date:	2020-08-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile

R5Y

R5Y
Name:	4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Formula:	C24 H27 N7
SMILES:	c2c(ccc(C1CCNCC1)c2)Nc5nc(c3cn(CCC=C)nc3)c4ccnc4n5
InChi:	InChI=1S/C24H27N7/c1-2-3-14-31-16-19(15-27-31)22-21-10-13-26-23(21)30-24(29-22)28-20-6-4-17(5-7-20)18-8-11-25-12-9-18/h2,4-7,10,13,15-16,18,25H,1,3,8-9,11-12,14H2,(H2,26,28,29,30)
Definition date:	2020-01-30
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

R61

R61
Name:	2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione
Formula:	C26 H29 F3 N6 O2 S
SMILES:	c1c(c(cc(c1)Nc4c(C)cnc(Nc3cc(c(C2CCN(C)CC2)c(c3)F)F)n4)N5CCCS5(=O)=O)F
InChi:	InChI=1S/C26H29F3N6O2S/c1-16-15-30-26(32-19-12-21(28)24(22(29)13-19)17-6-9-34(2)10-7-17)33-25(16)31-18-4-5-20(27)23(14-18)35-8-3-11-38(35,36)37/h4-5,12-15,17H,3,6-11H2,1-2H3,(H2,30,31,32,33)
Definition date:	2020-01-30
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione

R62

R62
Name:	4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid
Formula:	C21 H22 N2 O2
SMILES:	CC1(C)CCC(C)(C)c2nc(cnc12)C#Cc3ccc(cc3)C(O)=O
InChi:	InChI=1S/C21H22N2O2/c1-20(2)11-12-21(3,4)18-17(20)22-13-16(23-18)10-7-14-5-8-15(9-6-14)19(24)25/h5-6,8-9,13H,11-12H2,1-4H3,(H,24,25)
Definition date:	2020-09-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid

R6B

R6B
Name:	(~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid
Formula:	C23 H27 N O2
SMILES:	CC(C)N1CCC(C)(C)c2cc(ccc12)c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C23H27NO2/c1-16(2)24-14-13-23(3,4)20-15-19(10-11-21(20)24)18-8-5-17(6-9-18)7-12-22(25)26/h5-12,15-16H,13-14H2,1-4H3,(H,25,26)/b12-7+
Definition date:	2020-09-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid

R6M

R6M
Name:	N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
Formula:	C27 H34 F2 N6 O2 S
SMILES:	c1(c(ccc(c1)Nc4c(C)cnc(Nc3ccc(C2CCN(C)CC2)c(c3)F)n4)F)NS(C(C)(C)C)(=O)=O
InChi:	InChI=1S/C27H34F2N6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33)
Definition date:	2020-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide

R6P

R6P
Name:	(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Formula:	C28 H32 N8
SMILES:	c5c(c2c1c(ncc1)nc(n2)Nc4ccc(C3CCNCC3)cc4)cnn5C(CC#N)C6CCCC6
InChi:	InChI=1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m0/s1
Definition date:	2020-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

R6S

R6S
Name:	N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
Formula:	C29 H37 F N6 O2 S
SMILES:	c5c(Nc3nc(Nc2ccc(C1CCN(CC1)C)c(c2)F)ncc3C)cc4c(CCN4S(C(C)(C)C)(=O)=O)c5
InChi:	InChI=1S/C29H37FN6O2S/c1-19-18-31-28(33-22-8-9-24(25(30)16-22)20-10-13-35(5)14-11-20)34-27(19)32-23-7-6-21-12-15-36(26(21)17-23)39(37,38)29(2,3)4/h6-9,16-18,20H,10-15H2,1-5H3,(H2,31,32,33,34)
Definition date:	2020-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine

R6V

R6V
Name:	(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Formula:	C28 H32 N8
SMILES:	c5c(c3nc(Nc2ccc(C1CCNCC1)cc2)nc4nccc34)cnn5C(CC#N)C6CCCC6
InChi:	InChI=1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m1/s1
Definition date:	2020-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

RCN

RCN
Name:	4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline
Formula:	C8 H7 Cl N4
SMILES:	Nc1ccc(Cl)cc1c2cn[nH]n2
InChi:	InChI=1S/C8H7ClN4/c9-5-1-2-7(10)6(3-5)8-4-11-13-12-8/h1-4H,10H2,(H,11,12,13)
Synonyms:	MMG-0363
Definition date:	2020-09-24
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline

RCQ

RCQ
Name:	4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline
Formula:	C8 H7 Cl N4
SMILES:	Nc1ccc(Cl)cc1c2[nH]ncn2
InChi:	InChI=1S/C8H7ClN4/c9-5-1-2-7(10)6(3-5)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
Synonyms:	MMG-0706
Definition date:	2020-09-24
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline

RCW

RCW
Name:	4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline
Formula:	C8 H7 Br N4
SMILES:	Nc1ccc(Br)cc1c2[nH]cnn2
InChi:	InChI=1S/C8H7BrN4/c9-5-1-2-7(10)6(3-5)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
Synonyms:	MMG-0752
Definition date:	2020-09-24
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline

RG4

RG4
Name:	(3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Formula:	C17 H18 N6
SMILES:	c4(c1ncnc2nccc12)cnn(C(CC#N)C3CCCC3)c4
InChi:	InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1
Definition date:	2020-02-12
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

RV2

RV2
Name:	5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid
Formula:	C19 H13 Cl N2 O5
SMILES:	OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2)c3cocc3
InChi:	InChI=1S/C19H13ClN2O5/c20-13-4-5-16(15(9-13)19(25)26)22-18(24)17(23)21-14-3-1-2-11(8-14)12-6-7-27-10-12/h1-10H,(H,21,23)(H,22,24)(H,25,26)
Synonyms:	5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid
Definition date:	2020-10-21
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid

RZB

RZB
Name:	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Formula:	C17 H16 Cl N5 O3
SMILES:	N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O
InChi:	InChI=1S/C17H16ClN5O3/c18-12-3-7-15(8-4-12)26-14-5-1-11(2-6-14)17-20-22-23(21-17)10-13(19)9-16(24)25/h1-8,13H,9-10,19H2,(H,24,25)/t13-/m1/s1
Definition date:	2020-11-04
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

RZE

RZE
Name:	(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Formula:	C16 H14 Cl F N6 O3
SMILES:	N[CH](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O
InChi:	InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
Definition date:	2020-11-04
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

MXB

MXB
Name:	(R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide
Formula:	C18 H21 N7 O2
SMILES:	Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2
InChi:	InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m1/s1
Synonyms:	(2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide
Definition date:	2019-10-28
Last modified:	2021-02-12
Release date:	2020-07-15
Identifier:	(2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide

NWS

NWS
Name:	Moco-AMP
Formula:	C20 H26 Mo N10 O15 P2 S2
SMILES:	NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)C(=O)N1
InChi:	InChI=1S/C20H26N10O12P2S2.Mo.2H2O.O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15
Definition date:	2018-12-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(1~{R},10~{R},16~{R})-5-azanyl-13,13-bis(oxidanyl)-7,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{6}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-trien-16-yl]methyl hydrogen phosphate

O5Z

O5Z
Name:	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
Formula:	C19 H22 Br N3 O3
SMILES:	N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Br)cc3
InChi:	InChI=1S/C19H22BrN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1
Definition date:	2020-02-10
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

UCJ

UCJ
Name:	propan-2-yl hydrogen (S)-methylphosphonate
Formula:	C4 H11 O3 P
SMILES:	O=P(OC(C)C)(O)C
InChi:	InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)
Definition date:	2020-05-07
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	propan-2-yl hydrogen (S)-methylphosphonate

V5V

V5V
Name:	(1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)
Formula:	C24 H26 F2 N10 O8 P2 S2
SMILES:	n1cn5c2ncnc(c12)NCC=CCNc8c3c(n(cn3)C7C(C6OP(S)(OCC4C(C(F)C5O4)OP(S)(=O)OCC6O7)=O)F)ncn8
InChi:	InChI=1S/C24H26F2N10O8P2S2/c25-13-17-11-5-39-46(38,48)44-18-12(6-40-45(37,47)43-17)42-24(14(18)26)36-10-34-16-20(30-8-32-22(16)36)28-4-2-1-3-27-19-15-21(31-7-29-19)35(9-33-15)23(13)41-11/h1-2,7-14,17-18,23-24H,3-6H2,(H,37,47)(H,38,48)(H,27,29,31)(H,28,30,32)/b2-1+/t11-,12-,13-,14-,17-,18-,23-,24-,45-,46+/m1/s1
Definition date:	2020-07-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)

Q9E

Q9E
Name:	(5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
Formula:	C23 H30 N4 O6 S
SMILES:	CN(C)C(=O)[CH]1CSCc2ccccc2C(=O)OC[CH](NC(=O)[CH]3CCCN3C(C)=O)C(=O)N1
InChi:	InChI=1S/C23H30N4O6S/c1-14(28)27-10-6-9-19(27)21(30)24-17-11-33-23(32)16-8-5-4-7-15(16)12-34-13-18(25-20(17)29)22(31)26(2)3/h4-5,7-8,17-19H,6,9-13H2,1-3H3,(H,24,30)(H,25,29)/t17-,18-,19+/m1/s1
Synonyms:	(5~{S},8~{R})-8-[[(2~{S})-1-ethanoyl-2,3-dihydropyrrol-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
Definition date:	2020-05-28
Last modified:	2021-02-07
Release date:	2020-12-30
Identifier:	(5~{S},8~{R})-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide

WF7

WF7
Name:	N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide
Formula:	C24 H28 N8 O
SMILES:	n4c(C)cc(Nc3cc(N1CCN(C)CC1)nc([C@H]=[C@H]c2ccc(cc2)NC(=O)/C=C)n3)n4
InChi:	InChI=1S/C24H28N8O/c1-4-24(33)25-19-8-5-18(6-9-19)7-10-20-26-21(27-22-15-17(2)29-30-22)16-23(28-20)32-13-11-31(3)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H,25,33)(H2,26,27,28,29,30)/b10-7+
Definition date:	2020-10-26
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide

WFD

WFD
Name:	1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one
Formula:	C27 H34 N8 O
SMILES:	CN1CCN(CC1)c2nc(nc(c2)Nc3cc(C)nn3)c4ccc(cc4)C5CCN(CC5)C(/C=C)=O
InChi:	InChI=1S/C27H34N8O/c1-4-26(36)35-11-9-21(10-12-35)20-5-7-22(8-6-20)27-29-23(28-24-17-19(2)31-32-24)18-25(30-27)34-15-13-33(3)14-16-34/h4-8,17-18,21H,1,9-16H2,2-3H3,(H2,28,29,30,31,32)
Definition date:	2020-10-26
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one

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