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VD3

VD3
Name:	(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL
Formula:	C27 H44 O
SMILES:	OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(C)C)CCC12)C(=C)CC3
InChi:	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/t21-,24+,25-,26+,27-/m1/s1
Synonyms:	VITAMIN D3
Definition date:	2006-06-15
Last modified:	2020-06-17
Identifier:	(3S,5E,7Z,14beta,17alpha)-9,10-secocholesta-5,7,10-trien-3-ol

VDN

VDN
Name:	2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE
Formula:	C23 H32 N6 O4 S
SMILES:	O=C2N=C(Nn1c(nc(c12)C)CCC)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4
InChi:	InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
Synonyms:	VARDENAFIL, LEVITRA
Definition date:	2003-07-10
Last modified:	2020-06-17
Identifier:	2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one

VDZ

VDZ
Name:	5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIO L
Formula:	C27 H44 O3
SMILES:	OC3/C(=C)C(O)CC(=CC=C1/CCCC2(C1CCC2C(C)CCCC(O)(C)C)C)C3
InChi:	InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22+,23-,24+,25+,27+/m0/s1
Synonyms:	2-METHYLENE-19-NOR-(20S)-1ALPHA,25-DIHYDROXY-VITAMIN D3
Definition date:	2003-12-17
Last modified:	2020-06-17
Identifier:	(1R,3R,7E,17beta)-17-[(1S)-5-hydroxy-1,5-dimethylhexyl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

VGH

VGH
Name:	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Formula:	C21 H22 Cl2 F N5 O
SMILES:	Clc1ccc(F)c(Cl)c1C(Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4)C
InChi:	InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
Synonyms:	CRIZOTINIB
Definition date:	2009-04-20
Last modified:	2020-06-17
Identifier:	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine

VHS

VHS
Name:	3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE
Formula:	C21 H22 Cl2 F N5 O
SMILES:	Clc1ccc(F)c(Cl)c1C(Oc4cc(c2cn(nc2)C3CCNCC3)cnc4N)C
InChi:	InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1
Synonyms:	S-CRIZOTINIB
Definition date:	2013-10-03
Last modified:	2020-06-17
Release date:	2014-04-02
Identifier:	3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine

VIT

VIT
Name:	VITAMIN E
Formula:	C29 H50 O2
SMILES:	Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C
InChi:	InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m0/s1
Synonyms:	2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOL
Definition date:	2000-08-02
Last modified:	2020-06-17
Identifier:	(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol

VLB

VLB
Name:	(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
Formula:	C46 H58 N4 O9
SMILES:	O=C(OC)C4(c2c(c1ccccc1n2)CCN3CC(O)(CC)CC(C3)C4)c5c(OC)cc6c(c5)C89C(N6C)C(O)(C(=O)OC)C(OC(=O)C)C7(C=CCN(C78)CC9)CC
InChi:	InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
Synonyms:	VINBLASTINE
Definition date:	2005-03-17
Last modified:	2020-06-17
Identifier:	(2alpha,2'beta,3alpha,5beta,19beta)-vincaleukoblastine

Z7F

Z7F
Name:	trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
Formula:	C33 H32 Cl F2 N O6 S
SMILES:	c2(OCc1c(cccc1F)Cl)cc3c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O)O)S(c6ccc(cc6)F)(=O)=O
InChi:	InChI=1S/C33H32ClF2NO6S/c34-28-2-1-3-29(36)26(28)19-43-24-11-14-27-22(18-24)8-15-30-33(27,44(41,42)25-12-9-23(35)10-13-25)16-17-37(30)31(38)20-4-6-21(7-5-20)32(39)40/h1-3,9-14,18,20-21,30H,4-8,15-17,19H2,(H,39,40)/t20-,21-,30-,33-/m1/s1
Definition date:	2020-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid

L1T

L1T
Name:	4-methyl-5-phenyl-thiophene-2-carboximidamide
Formula:	C12 H12 N2 S
SMILES:	Cc1cc(sc1c2ccccc2)C(N)=N
InChi:	InChI=1S/C12H12N2S/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)
Definition date:	2019-07-15
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-methyl-5-phenyl-thiophene-2-carboximidamide

X33

X33
Name:	Carborane inhibitor
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C++]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C+]3%15%18[B]47%14%16
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-4-6(5)8(4)9(4)7(4,5)11(5)10(5,6)12(6,8)14(8,9)13(7,9,11)15(10,11,12)14/h1-3H2,(H2,16,17,18)/q+3
Definition date:	2019-10-23
Last modified:	2020-06-12
Release date:	2020-06-17

LCB

LCB
Name:	4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
Formula:	C13 H14 N6 O2 S
SMILES:	CCc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc3nc[nH]c13
InChi:	InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide

LCQ

LCQ
Name:	2-phenylazanyl-9~{H}-purine-6-carbonitrile
Formula:	C12 H8 N6
SMILES:	N#Cc1nc(Nc2ccccc2)nc3[nH]cnc13
InChi:	InChI=1S/C12H8N6/c13-6-9-10-11(15-7-14-10)18-12(17-9)16-8-4-2-1-3-5-8/h1-5,7H,(H2,14,15,16,17,18)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-phenylazanyl-9~{H}-purine-6-carbonitrile

LCW

LCW
Name:	2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
Formula:	C15 H14 N6 O
SMILES:	NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1
InChi:	InChI=1S/C15H14N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h2-6,8H,1,7H2,(H2,16,22)(H2,17,18,19,20,21)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide

LD5

LD5
Name:	4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
Formula:	C13 H12 N6 O2 S
SMILES:	N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2)cc1
InChi:	InChI=1S/C13H12N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h2-7H,1H2,(H2,14,20,21)(H2,15,16,17,18,19)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide

JT2

JT2
Name:	4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
Formula:	C13 H18 N4 S2
SMILES:	C[CH](CN)Nc1cc(CS)cc2sc(cc12)C(N)=N
InChi:	InChI=1S/C13H18N4S2/c1-7(5-14)17-10-2-8(6-18)3-11-9(10)4-12(19-11)13(15)16/h2-4,7,17-18H,5-6,14H2,1H3,(H3,15,16)/t7-/m0/s1
Definition date:	2019-03-26
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide

K48

K48
Name:	5-azanyl-4-phenyl-thiophene-2-carboximidamide
Formula:	C11 H11 N3 S
SMILES:	NC(=N)c1sc(N)c(c1)c2ccccc2
InChi:	InChI=1S/C11H11N3S/c12-10(13)9-6-8(11(14)15-9)7-4-2-1-3-5-7/h1-6H,14H2,(H3,12,13)
Definition date:	2019-04-19
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-azanyl-4-phenyl-thiophene-2-carboximidamide

K5Z

K5Z
Name:	5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide
Formula:	C14 H17 N3 S
SMILES:	NCCCc1sc(cc1c2ccccc2)C(N)=N
InChi:	InChI=1S/C14H17N3S/c15-8-4-7-12-11(9-13(18-12)14(16)17)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,15H2,(H3,16,17)
Definition date:	2019-04-29
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide

K65

K65
Name:	~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
Formula:	C14 H13 N3 O S
SMILES:	NC(=N)c1scc(c1)c2ccccc2NC(=O)C=C
InChi:	InChI=1S/C14H13N3OS/c1-2-13(18)17-11-6-4-3-5-10(11)9-7-12(14(15)16)19-8-9/h2-8H,1H2,(H3,15,16)(H,17,18)
Definition date:	2019-04-29
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide

K6B

K6B
Name:	7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide
Formula:	C14 H12 N4 S
SMILES:	NC(=N)c1sc2c(cccc2c3cccc(N)n3)c1
InChi:	InChI=1S/C14H12N4S/c15-12-6-2-5-10(18-12)9-4-1-3-8-7-11(14(16)17)19-13(8)9/h1-7H,(H2,15,18)(H3,16,17)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide

K6N

K6N
Name:	7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide
Formula:	C13 H13 N5 S
SMILES:	Cc1cn(nc1N)c2cccc3cc(sc23)C(N)=N
InChi:	InChI=1S/C13H13N5S/c1-7-6-18(17-13(7)16)9-4-2-3-8-5-10(12(14)15)19-11(8)9/h2-6H,1H3,(H3,14,15)(H2,16,17)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide

K6T

K6T
Name:	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
Formula:	C17 H16 N4 S
SMILES:	NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3
InChi:	InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide

K6W

K6W
Name:	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide
Formula:	C18 H16 N2 S
SMILES:	NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
InChi:	InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide

K6Z

K6Z
Name:	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide
Formula:	C17 H15 N3 S
SMILES:	NC(=N)c1sc(Nc2ccccc2)c(c1)c3ccccc3
InChi:	InChI=1S/C17H15N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1-11,20H,(H3,18,19)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide

K7N

K7N
Name:	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
Formula:	C16 H17 N5 S
SMILES:	NCCn1cnc(c1)c2sc(cc2c3ccccc3)C(N)=N
InChi:	InChI=1S/C16H17N5S/c17-6-7-21-9-13(20-10-21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)
Definition date:	2019-05-01
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide

K7Q

K7Q
Name:	~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide
Formula:	C13 H16 N4 O2 S
SMILES:	COc1ccc(C(=O)NCCN)c2cc(sc12)C(N)=N
InChi:	InChI=1S/C13H16N4O2S/c1-19-9-3-2-7(13(18)17-5-4-14)8-6-10(12(15)16)20-11(8)9/h2-3,6H,4-5,14H2,1H3,(H3,15,16)(H,17,18)
Definition date:	2019-05-01
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide

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