AE35981
1254205-52-1 | RQ-00203078
Manufacturer: A2B Chem
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CatalogNumber
AE35981
ChemicalName
RQ-00203078
CasNumber
1254205-52-1
MolecularFormula
C21H13ClF6N2O5S
MolecularWeight
554.8467391999999
MdlNumber
MFCD29049510
Smiles
Clc1cc(cnc1N(S(=O)(=O)c1ccc(cc1)C(=O)O)Cc1ccc(cc1)OC(F)(F)F)C(F)(F)F
Complexity
852
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
5.6
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CatalogNumber: AE35981
ChemicalName: RQ-00203078
CasNumber: 1254205-52-1
MolecularFormula: C21H13ClF6N2O5S
MolecularWeight: 554.8467391999999
MdlNumber: MFCD29049510
Smiles: Clc1cc(cnc1N(S(=O)(=O)c1ccc(cc1)C(=O)O)Cc1ccc(cc1)OC(F)(F)F)C(F)(F)F
Complexity: 852
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 5.6
CatalogNumber:
AE35981
ChemicalName:
RQ-00203078
CasNumber:
1254205-52-1
MolecularFormula:
C21H13ClF6N2O5S
MolecularWeight:
554.8467391999999
MdlNumber:
MFCD29049510
Smiles:
Clc1cc(cnc1N(S(=O)(=O)c1ccc(cc1)C(=O)O)Cc1ccc(cc1)OC(F)(F)F)C(F)(F)F
Complexity:
852
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
5.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccncc1C(=O)NC(=O)Nc1ccc(c(c1)C(F)(F)F)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccncc1C(=O)NC(=O)Nc1ccc(c(c1)C(F)(F)F)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1ncc(c1)c1cnc2c(n1)n(nn2)[C@H](c1ccc2n(c1)ccn2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cn1ncc(c1)c1cnc2c(n1)n(nn2)[C@H](c1ccc2n(c1)ccn2)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AE35984
ChemicalName: Siponimod
CasNumber: 1230487-00-9
MolecularFormula: C29H35F3N2O3
MolecularWeight: 516.595
MdlNumber: MFCD26142651
Smiles: CCc1cc(ccc1CN1CC(C1)C(=O)O)C(=NOCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)C
Complexity: 777
Covalently-bondedUnitCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 4.8
CatalogNumber:
AE35984
ChemicalName:
Siponimod
CasNumber:
1230487-00-9
MolecularFormula:
C29H35F3N2O3
MolecularWeight:
516.595
MdlNumber:
MFCD26142651
Smiles:
CCc1cc(ccc1CN1CC(C1)C(=O)O)C(=NOCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)C
Complexity:
777
Covalently-bondedUnitCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
4.8