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MWD

MWD
Name:	(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
Formula:	C16 H21 Cl F N3 O2
SMILES:	O=C(C1CCCN(C(NCCC)=O)C1)Nc2ccc(c(c2)F)Cl
InChi:	InChI=1S/C16H21ClFN3O2/c1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1
Definition date:	2019-04-23
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide

AXU

AXU
Name:	4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one
Formula:	C21 H17 N5 O2
SMILES:	Cc1ccc2oc(c(C)c2c1)c3n(nc4C(=O)NN=C(N)c34)c5ccccc5
InChi:	InChI=1S/C21H17N5O2/c1-11-8-9-15-14(10-11)12(2)19(28-15)18-16-17(21(27)24-23-20(16)22)25-26(18)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,22,23)(H,24,27)
Definition date:	2018-12-05
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one

P6J

P6J
Name:	N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
Formula:	C22 H21 F2 N5 O3 S
SMILES:	COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c(F)cc(c3)NC(=O)c4cnc(cn4)OCC#C
InChi:	InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1
Definition date:	2019-08-01
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide

VV7

VV7
Name:	DENDRON-D3
Formula:	C69 H77 N20 O39
SMILES:	[O][C][C]1O[C]([C]([O])[C]([O])[C]1[O])n2cc(OC[C](COCc3cn(nn3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)(COCc5cn(nn5)[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)NC(=O)c7cc(CO)cc(c7)C(=O)N[C](COCc8cn(nn8)[C]9O[C]([C][O])[C]([O])[C]([O])[C]9[O])(COCc%10cn(nn%10)[CH]%11O[CH](CO)[CH](O)[CH](O)[CH]%11O)OCc%12cn(nn%12)[CH]%13O[CH](CO)[CH](O)[CH](O)[CH]%13O)nn2
InChi:	InChI=1S/C69H100N20O39/c90-10-27-1-28(60(115)70-68(24-121-41-9-89(83-77-41)67-59(114)53(108)47(102)40(16-96)128-67,22-117-17-30-4-84(78-72-30)62-54(109)48(103)42(97)35(11-91)123-62)23-118-18-31-5-85(79-73-31)63-55(110)49(104)43(98)36(12-92)124-63)3-29(2-27)61(116)71-69(122-21-34-8-88(82-76-34)66-58(113)52(107)46(101)39(15-95)127-66,25-119-19-32-6-86(80-74-32)64-56(111)50(105)44(99)37(13-93)125-64)26-120-20-33-7-87(81-75-33)65-57(112)51(106)45(100)38(14-94)126-65/h1-9,35-40,42-59,62-67,90-114H,10-26H2,(H,70,115)(H,71,116)/t35-,36+,37-,38?,39+,40?,42-,43-,44-,45?,46-,47?,48+,49?,50+,51?,52?,53?,54-,55?,56-,57?,58?,59?,62-,63+,64-,65?,66+,67?,68+,69+/m0/s1
Definition date:	2014-09-04
Last modified:	2019-10-17
Release date:	2014-11-12

G0Z

G0Z
Name:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C31 H45 N15 O22 P4 S
SMILES:	CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=NC6C5N=CN=C6N)n7cnc8c(N)ncnc78)[CH](O)[CH]2O)C9=C1C(=O)NC(=N9)N
InChi:	InChI=1S/C31H45N15O22P4S/c1-43-9-46(26-15(43)27(52)42-31(34)41-26)29-19(50)17(48)11(64-29)3-61-70(55,56)67-72(59,73)68-71(57,58)62-4-12-21(20(51)30(65-12)45-8-40-14-23(33)36-6-38-25(14)45)66-69(53,54)60-2-10-16(47)18(49)28(63-10)44-7-39-13-22(32)35-5-37-24(13)44/h5-8,10-13,16-21,24,28-30,47-51H,2-4,9H2,1H3,(H,53,54)(H,55,56)(H,57,58)(H,59,73)(H2,32,35,37)(H2,33,36,38)(H3,34,41,42,52)/t10-,11-,12-,13?,16-,17-,18-,19-,20-,21-,24?,28-,29-,30-,72-/m1/s1
Definition date:	2018-08-21
Last modified:	2019-10-17
Release date:	2019-06-19
Identifier:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

BVN

BVN
Name:	2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
Formula:	C22 H27 N3 O5
SMILES:	CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
InChi:	InChI=1S/C22H27N3O5/c1-3-24(4-2)15-16-30-22(27)18-5-9-19(10-6-18)23-14-13-21(26)17-7-11-20(12-8-17)25(28)29/h5-12,23H,3-4,13-16H2,1-2H3
Definition date:	2017-10-17
Last modified:	2019-10-17
Release date:	2018-10-31
Identifier:	2-(diethylamino)ethyl 4-[[3-(4-nitrophenyl)-3-oxidanylidene-propyl]amino]benzoate

NBR

NBR
Name:	1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine
Formula:	C30 H36 N4 O2
SMILES:	CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(cc4)N(C)C)cc3)cc2)cc1
InChi:	InChI=1S/C30H36N4O2/c1-31(2)27-13-17-33(18-14-27)23-25-5-9-29(10-6-25)35-21-22-36-30-11-7-26(8-12-30)24-34-19-15-28(16-20-34)32(3)4/h5-20H,21-24H2,1-4H3/q+2
Definition date:	2016-01-13
Last modified:	2019-10-17
Release date:	2016-03-23
Identifier:	1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-~{N},~{N}-dimethyl-pyridin-1-ium-4-amine

GUX

GUX
Name:	(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
Formula:	C15 H26 N4 O5
SMILES:	O[CH]1[CH](O)[CH]2[CH]([CH]([CH]1O)C(O)=O)N2CCCCCCCCN=[N+]=[N-]
InChi:	InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-8-19-10-9(15(23)24)12(20)14(22)13(21)11(10)19/h9-14,20-22H,1-8H2,(H,23,24)/t9-,10+,11+,12+,13-,14-,19-/m0/s1
Definition date:	2016-06-02
Last modified:	2019-10-16
Release date:	2017-05-31
Identifier:	(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-(8-azidooctyl)-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid

G6W

G6W
Name:	2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide
Formula:	C14 H17 N5 O2 S
SMILES:	CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2
InChi:	InChI=1S/C14H17N5O2S/c1-7(20)10-11(8-4-9(15)6-17-5-8)22-13(18-10)19-12(21)14(2,3)16/h4-6H,15-16H2,1-3H3,(H,18,19,21)
Definition date:	2018-08-29
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide

L0N

L0N
Name:	~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Formula:	C30 H36 N6 O2
SMILES:	CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OCC(C)C)c23)c4ccc(cc4)N5CCN(C)CC5
InChi:	InChI=1S/C30H36N6O2/c1-5-25(37)33-23-8-6-7-22(17-23)26-27-29(31-19-32-30(27)38-18-20(2)3)34-28(26)21-9-11-24(12-10-21)36-15-13-35(4)14-16-36/h6-12,17,19-20H,5,13-16,18H2,1-4H3,(H,33,37)(H,31,32,34)
Definition date:	2019-07-09
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide

L0Q

L0Q
Name:	~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Formula:	C29 H34 N6 O2
SMILES:	CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OC(C)C)c23)c4ccc(cc4)N5CCN(C)CC5
InChi:	InChI=1S/C29H34N6O2/c1-5-24(36)32-22-8-6-7-21(17-22)25-26-28(30-18-31-29(26)37-19(2)3)33-27(25)20-9-11-23(12-10-20)35-15-13-34(4)14-16-35/h6-12,17-19H,5,13-16H2,1-4H3,(H,32,36)(H,30,31,33)
Definition date:	2019-07-09
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide

L1W

L1W
Name:	~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Formula:	C39 H38 N6 O4
SMILES:	CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(O)cc6)c7ccccc7)c2c1
InChi:	InChI=1S/C39H38N6O4/c1-2-35(47)40-29-14-17-32-34(23-29)45(39(49)42-32)30-18-20-44(21-19-30)24-26-8-12-28(13-9-26)36-37(27-6-4-3-5-7-27)43-38(48)33(41-36)22-25-10-15-31(46)16-11-25/h3-17,23,30,46H,2,18-22,24H2,1H3,(H,40,47)(H,42,49)(H,43,48)
Definition date:	2019-07-15
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide

L1Z

L1Z
Name:	~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Formula:	C33 H34 N6 O3
SMILES:	CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C)C(=O)N5)c6ccccc6)c2c1
InChi:	InChI=1S/C33H34N6O3/c1-3-29(40)35-25-13-14-27-28(19-25)39(33(42)36-27)26-15-17-38(18-16-26)20-22-9-11-24(12-10-22)31-30(23-7-5-4-6-8-23)34-21(2)32(41)37-31/h4-14,19,26H,3,15-18,20H2,1-2H3,(H,35,40)(H,36,42)(H,37,41)
Definition date:	2019-07-15
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide

JX4

JX4
Name:	6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
Formula:	C21 H23 N7 O
SMILES:	c1c(c(OC)cc2ncc(n12)c3nc(ccc3)NC4CNCC4)c5cn(C)nc5
InChi:	InChI=1S/C21H23N7O/c1-27-12-14(9-24-27)16-13-28-18(11-23-21(28)8-19(16)29-2)17-4-3-5-20(26-17)25-15-6-7-22-10-15/h3-5,8-9,11-13,15,22H,6-7,10H2,1-2H3,(H,25,26)/t15-/m1/s1
Definition date:	2018-10-05
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine

KRE

KRE
Name:	~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
Formula:	C23 H27 N5 O3 S
SMILES:	COc1cc(N[S](C)(=O)=O)cc(c1)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4
InChi:	InChI=1S/C23H27N5O3S/c1-31-21-12-17(11-19(14-21)27-32(2,29)30)22-13-18(15-26-23(22)24)16-3-5-20(6-4-16)28-9-7-25-8-10-28/h3-6,11-15,25,27H,7-10H2,1-2H3,(H2,24,26)
Definition date:	2019-06-18
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide

BQ3

BQ3
Name:	tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
Formula:	C14 H20 N2 O2
SMILES:	C(OC(=O)N1Cc2c(CC1)ccc(N)c2)(C)(C)C
InChi:	InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
Definition date:	2019-02-28
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

HJQ

HJQ
Name:	(2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine
Formula:	C18 H28 F N3
SMILES:	CN1CCN(C)[CH](CCN2CC[CH](C2)c3ccc(F)cc3)C1
InChi:	InChI=1S/C18H28FN3/c1-20-11-12-21(2)18(14-20)8-10-22-9-7-16(13-22)15-3-5-17(19)6-4-15/h3-6,16,18H,7-14H2,1-2H3/t16-,18+/m0/s1
Definition date:	2018-12-10
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	(2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine

K5T

K5T
Name:	(2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid
Formula:	C27 H47 N11 O11
SMILES:	C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[CH](C)C(O)=O)C(N)=O
InChi:	InChI=1S/C27H47N11O11/c1-14(29)25(46)38-16(24(30)45)6-7-18(39)37-17(26(47)36-15(2)27(48)49)5-3-4-8-31-20(41)10-33-22(43)12-35-23(44)13-34-21(42)11-32-19(40)9-28/h14-17H,3-13,28-29H2,1-2H3,(H2,30,45)(H,31,41)(H,32,40)(H,33,43)(H,34,42)(H,35,44)(H,36,47)(H,37,39)(H,38,46)(H,48,49)/t14-,15+,16+,17-/m0/s1
Definition date:	2019-04-26
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	(2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid

M2Z

M2Z
Name:	1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
Formula:	C25 H29 N3 O3
SMILES:	COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)N4CCNCC4
InChi:	InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
Definition date:	2019-10-02
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine

AO6

AO6
Name:	2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione
Formula:	C16 H15 N O3
SMILES:	C[CH](O)CC1=C(C)C(=O)C(=O)c2c1[nH]c3ccccc23
InChi:	InChI=1S/C16H15NO3/c1-8(18)7-11-9(2)15(19)16(20)13-10-5-3-4-6-12(10)17-14(11)13/h3-6,8,17-18H,7H2,1-2H3/t8-/m1/s1
Definition date:	2018-11-13
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	2-methyl-1-[(2~{R})-2-oxidanylpropyl]-9~{H}-carbazole-3,4-dione

VH0

VH0
Name:	(2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
Formula:	C8 H13 N5 O2
SMILES:	O=C(O)C2NCC(n1nnc(c1)CN)C2
InChi:	InChI=1S/C8H13N5O2/c9-2-5-4-13(12-11-5)6-1-7(8(14)15)10-3-6/h4,6-7,10H,1-3,9H2,(H,14,15)/t6-,7-/m0/s1
Definition date:	2013-04-23
Last modified:	2019-10-07
Release date:	2013-05-01
Identifier:	(4S)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-L-proline

XZ1

XZ1
Name:	4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol
Formula:	C15 H11 Cl F N3 O2
SMILES:	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O
InChi:	InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20)
Definition date:	2019-08-15
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol

ZWP

ZWP
Name:	3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate
Formula:	C21 H21 N3 O
SMILES:	c1cccc4c1c(Cc2c[n+]3c(c(n2)[O-])CC=C3)c(C(C)(C)C=C)n4
InChi:	InChI=1S/C21H21N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-9,11,13,23H,1,10,12H2,2-3H3
Definition date:	2019-01-12
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate

YTW

YTW
Name:	(3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol
Formula:	C7 H13 N O7 S
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12
InChi:	InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4+,5+,6+,7+/m1/s1
Definition date:	2018-11-30
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol

L3J

L3J
Name:	(E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide
Formula:	C32 H46 N4 O5 S
SMILES:	C(C=NC(C(NCC2NC(=O)c1cc(cc(N(CCC)S(C)(=O)=O)c1)CCCCc3cccc(C2)c3)C(C)O)=O)(C)C
InChi:	InChI=1S/C32H46N4O5S/c1-6-14-36(42(5,40)41)29-18-26-11-8-7-10-24-12-9-13-25(15-24)17-28(35-31(38)27(16-26)19-29)21-33-30(23(4)37)32(39)34-20-22(2)3/h9,12-13,15-16,18-20,22-23,28,30,33,37H,6-8,10-11,14,17,21H2,1-5H3,(H,35,38)/b34-20+/t23-,28-,30+/m0/s1
Definition date:	2019-02-05
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide

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