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S0Z

S0Z
Name:	methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
Formula:	C17 H16 B N O5
SMILES:	COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3
InChi:	InChI=1S/C17H16BNO5/c1-23-17(21)15(11-5-3-2-4-6-11)19-16(20)12-7-8-13-10-24-18(22)14(13)9-12/h2-9,15,22H,10H2,1H3,(H,19,20)/t15-/m1/s1
Synonyms:	methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate
Definition date:	2020-11-04
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	methyl (2~{R})-2-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate

S1B

S1B
Name:	4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one
Formula:	C15 H19 B N2 O4
SMILES:	CN1CCN(C(=O)c2ccc3COB(O)c3c2)C(C)(C)C1=O
InChi:	InChI=1S/C15H19BN2O4/c1-15(2)14(20)17(3)6-7-18(15)13(19)10-4-5-11-9-22-16(21)12(11)8-10/h4-5,8,21H,6-7,9H2,1-3H3
Synonyms:	1,3,3-trimethyl-4-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one
Definition date:	2020-11-04
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	1,3,3-trimethyl-4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one

S1E

S1E
Name:	N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide
Formula:	C22 H20 B N O3
SMILES:	OB1OCc2ccc(cc12)C(=O)N(Cc3ccccc3)Cc4ccccc4
InChi:	InChI=1S/C22H20BNO3/c25-22(19-11-12-20-16-27-23(26)21(20)13-19)24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2
Synonyms:	1-oxidanyl-N,N-bis(phenylmethyl)-3H-2,1-benzoxaborole-6-carboxamide
Definition date:	2020-11-05
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	1-oxidanyl-~{N},~{N}-bis(phenylmethyl)-3~{H}-2,1-benzoxaborole-6-carboxamide

S1K

S1K
Name:	2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:	C16 H15 B O5
SMILES:	OB1O[CH](CC(O)=O)c2cc(OCc3ccccc3)ccc12
InChi:	InChI=1S/C16H15BO5/c18-16(19)9-15-13-8-12(6-7-14(13)17(20)22-15)21-10-11-4-2-1-3-5-11/h1-8,15,20H,9-10H2,(H,18,19)/t15-/m0/s1
Synonyms:	2-[(3S)-1-oxidanyl-5-phenylmethoxy-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:	2020-11-05
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	2-[(3~{S})-1-oxidanyl-5-phenylmethoxy-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid

ZMD

ZMD
Name:	(3S)-2,1-benzoxaborole-1,3(3H)-diol
Formula:	C7 H7 B O3
SMILES:	OB1OC(O)c2ccccc12
InChi:	InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1
Definition date:	2021-05-07
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	(3S)-2,1-benzoxaborole-1,3(3H)-diol

GZO

GZO
Name:	methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate
Formula:	C20 H19 F N8 O2
SMILES:	COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24
InChi:	InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
Definition date:	2020-10-15
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate

J00

J00
Name:	2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid
Formula:	C10 H9 B O4
SMILES:	OB1O[CH](C(=C)C(O)=O)c2ccccc12
InChi:	InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m1/s1
Synonyms:	(S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
Definition date:	2021-03-08
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	2-[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid

LKW

LKW
Name:	6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:	C22 H17 N3 O4
SMILES:	CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C22H17N3O4/c1-2-12-3-5-14(6-4-12)19-18-16(22(28)29)11-17(23-20(18)25-24-19)13-7-9-15(10-8-13)21(26)27/h3-11H,2H2,1H3,(H,26,27)(H,28,29)(H,23,24,25)
Definition date:	2019-08-22
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid

06N

06N
Name:	4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
Formula:	C13 H14 N4 O S
SMILES:	CCCNc1sc2ncc(n2n1)c3ccc(O)cc3
InChi:	InChI=1S/C13H14N4OS/c1-2-7-14-12-16-17-11(8-15-13(17)19-12)9-3-5-10(18)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,14,16)
Definition date:	2021-05-31
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol

XXV

XXV
Name:	1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide
Formula:	C19 H22 N6 O3 S
SMILES:	C1(N(CCOC1)c5cc(C2(CC2)S(N)(=O)=O)nc(c4ccnc3c4ccn3)n5)C
InChi:	InChI=1S/C19H22N6O3S/c1-12-11-28-9-8-25(12)16-10-15(19(4-5-19)29(20,26)27)23-18(24-16)14-3-7-22-17-13(14)2-6-21-17/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,21,22)(H2,20,26,27)/t12-/m1/s1
Definition date:	2021-01-18
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide

YHP

YHP
Name:	N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
Formula:	C29 H25 F4 N5 O2
SMILES:	FC(F)(F)c1cccc(c1)C(=O)NC1C(=O)N(CC)c2c(C1c1ccc(F)cc1)c(nn2c1ccccc1)CN
InChi:	InChI=1S/C29H25F4N5O2/c1-2-37-27-24(22(16-34)36-38(27)21-9-4-3-5-10-21)23(17-11-13-20(30)14-12-17)25(28(37)40)35-26(39)18-7-6-8-19(15-18)29(31,32)33/h3-15,23,25H,2,16,34H2,1H3,(H,35,39)/t23-,25-/m0/s1
Definition date:	2021-03-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide

YOS

YOS
Name:	[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid
Formula:	C27 H30 F N3 O3
SMILES:	Fc1cc(c(OC)cc1)c1ccnc2[NH]c(cc12)C1=CCN(CC1)C1CCC(CC(=O)O)CC1
InChi:	InChI=1S/C27H30FN3O3/c1-34-25-7-4-19(28)15-22(25)21-8-11-29-27-23(21)16-24(30-27)18-9-12-31(13-10-18)20-5-2-17(3-6-20)14-26(32)33/h4,7-9,11,15-17,20H,2-3,5-6,10,12-14H2,1H3,(H,29,30)(H,32,33)/t17-,20-
Definition date:	2021-03-18
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid

WEG

WEG
Name:	2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Formula:	C16 H12 N4
SMILES:	c1ccc(cc1)c2nc4c(c2)cc(c3cnnc3)cn4
InChi:	InChI=1S/C16H12N4/c1-2-4-11(5-3-1)15-7-12-6-13(8-17-16(12)20-15)14-9-18-19-10-14/h1-10H,(H,17,20)(H,18,19)
Definition date:	2020-10-21
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

WEJ

WEJ
Name:	4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
Formula:	C19 H17 N5 O
SMILES:	Cc4c(C)c(C(Nc3cnc2nc(c1ccccc1)cc2c3)=O)nn4
InChi:	InChI=1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)
Definition date:	2020-10-21
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide

1KW

1KW
Name:	ortho-carborane
Formula:	C2 B10
SMILES:	[B]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[C]%11%12%19[B]%13%14%15[C]%16%17%18%19
InChi:	InChI=1S/C2B10/c1-2-3(1)5(1)6(1)4(1,2)8(2)7(2,3)9(3,5)11(5,6)10(4,6,8)12(7,8,9)11
Definition date:	2021-06-23
Last modified:	2021-07-02
Release date:	2021-07-07

UK2

UK2
Name:	(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
Formula:	C7 H8 B N O4
SMILES:	Cc1ccc(cc1[N+]([O-])=O)B(O)O
InChi:	InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
Definition date:	2021-02-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(4-methyl-3-nitro-phenyl)boronic acid

UKH

UKH
Name:	p-nitrophenylboronic acid
Formula:	C6 H6 B N O4
SMILES:	OB(O)c1ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
Synonyms:	(4-nitrophenyl)boronic acid
Definition date:	2021-02-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(4-nitrophenyl)boronic acid

VYJ

VYJ
Name:	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:	C36 H46 N8 O3
SMILES:	C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7
InChi:	InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)
Definition date:	2020-09-21
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

AF6

AF6
Name:	N-benzyl-9H-beta-carbolin-3-amine
Formula:	C18 H15 N3
SMILES:	c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4
InChi:	InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
Definition date:	2018-11-01
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-benzyl-9H-beta-carbolin-3-amine

CLA

CLA
Name:	CHLOROPHYLL A
Formula:	C55 H72 Mg N4 O5
SMILES:	O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
InChi:	InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42
Definition date:	1999-07-08
Last modified:	2021-06-25
Identifier:	[methyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}phorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium

NMR

NMR
Name:	[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron
Formula:	C6 H4 B Cl2 O2
SMILES:	O[B](=O)c1cc(Cl)cc(Cl)c1
InChi:	InChI=1S/C6H4BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10H
Definition date:	2021-02-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron

Q65

Q65
Name:	(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C26 H37 B F2 N5 O4
SMILES:	C[CH]1CC(=C2[CH](CCCCc3cn(C[CH]4[CH](O)[CH](O)[CH](O)[CH]5O[CH]45)nn3)c6n(c(C)cc6C)[B](F)(F)N12)C
InChi:	InChI=1S/C26H37BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9,11,16,18-19,22-26,35-37H,5-8,10,12H2,1-4H3/t16-,18+,19-,22-,23+,24-,25-,26+/m1/s1
Definition date:	2020-05-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol

TDB

TDB
Name:	6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL
Formula:	C9 H13 B N2 O3 S2
SMILES:	O=S(=O)(N1N=Cc2sc(cc2B1O)C)CCC
InChi:	InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3
Synonyms:	Diazaborine
Definition date:	1999-07-08
Last modified:	2021-06-23
Identifier:	6-methyl-2-(propylsulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol

XJY

XJY
Name:	cyclobutylboronic acid
Formula:	C4 H9 B O2
SMILES:	OB(O)C1CCC1
InChi:	InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	cyclobutylboronic acid

AEU

AEU
Name:	N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine
Formula:	C24 H19 N3 O
SMILES:	c1c5c(cc(n1)NCc2cccc(c2)Oc3ccccc3)c4ccccc4n5
InChi:	InChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26)
Definition date:	2018-10-31
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine

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