AE11543
1173111-67-5 | PF-04929113 Mesylate
Manufacturer: A2B Chem
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CatalogNumber
AE11543
ChemicalName
PF-04929113 Mesylate
CasNumber
1173111-67-5
MolecularFormula
C26H34F3N5O7S
MolecularWeight
617.6376696000001
MdlNumber
MFCD29924735
Smiles
CS(=O)(=O)O.NCC(=O)O[C@@H]1CC[C@H](CC1)Nc1cc(ccc1C(=O)N)n1nc(c2c1CC(C)(C)CC2=O)C(F)(F)F
Complexity
969
Covalently-bondedUnitCount
2
HeavyAtomCount
42
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
4
RotatableBondCount
7
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CatalogNumber: AE11543
ChemicalName: PF-04929113 Mesylate
CasNumber: 1173111-67-5
MolecularFormula: C26H34F3N5O7S
MolecularWeight: 617.6376696000001
MdlNumber: MFCD29924735
Smiles: CS(=O)(=O)O.NCC(=O)O[C@@H]1CC[C@H](CC1)Nc1cc(ccc1C(=O)N)n1nc(c2c1CC(C)(C)CC2=O)C(F)(F)F
Complexity: 969
Covalently-bondedUnitCount: 2
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 4
RotatableBondCount: 7
CatalogNumber:
AE11543
ChemicalName:
PF-04929113 Mesylate
CasNumber:
1173111-67-5
MolecularFormula:
C26H34F3N5O7S
MolecularWeight:
617.6376696000001
MdlNumber:
MFCD29924735
Smiles:
CS(=O)(=O)O.NCC(=O)O[C@@H]1CC[C@H](CC1)Nc1cc(ccc1C(=O)N)n1nc(c2c1CC(C)(C)CC2=O)C(F)(F)F
Complexity:
969
Covalently-bondedUnitCount:
2
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
4
RotatableBondCount:
7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1.O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1.CC(=O)O.CC(=O)O.CC(=O)O
Complexity: __
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HydrogenBondDonorCount: __
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MdlNumber:
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Smiles:
O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1.O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1.CC(=O)O.CC(=O)O.CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: AE11546
ChemicalName: 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber: 1209492-73-8
MolecularFormula: C12H17N3O4
MolecularWeight: 267.2811
MdlNumber: MFCD31560798
Smiles: O=C(N1CCn2c(C1)cc(n2)C(=O)O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AE11546
ChemicalName:
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber:
1209492-73-8
MolecularFormula:
C12H17N3O4
MolecularWeight:
267.2811
MdlNumber:
MFCD31560798
Smiles:
O=C(N1CCn2c(C1)cc(n2)C(=O)O)OC(C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3