AX37445
2097002-61-2 | Selitrectinib
Manufacturer: A2B Chem
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CatalogNumber
AX37445
ChemicalName
Selitrectinib
CasNumber
2097002-61-2
MolecularFormula
C20H21FN6O
MolecularWeight
380.4187432000001
MdlNumber
MFCD31620755
Smiles
C[C@@H]1CCc2ncc(cc2[C@H]2CCCN2c2nc3c(C(=O)N1)cnn3cc2)F
Complexity
593
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
28
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
Xlogp3
2
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CatalogNumber: AX37445
ChemicalName: Selitrectinib
CasNumber: 2097002-61-2
MolecularFormula: C20H21FN6O
MolecularWeight: 380.4187432000001
MdlNumber: MFCD31620755
Smiles: C[C@@H]1CCc2ncc(cc2[C@H]2CCCN2c2nc3c(C(=O)N1)cnn3cc2)F
Complexity: 593
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
Xlogp3: 2
CatalogNumber:
AX37445
ChemicalName:
Selitrectinib
CasNumber:
2097002-61-2
MolecularFormula:
C20H21FN6O
MolecularWeight:
380.4187432000001
MdlNumber:
MFCD31620755
Smiles:
C[C@@H]1CCc2ncc(cc2[C@H]2CCCN2c2nc3c(C(=O)N1)cnn3cc2)F
Complexity:
593
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCCCOC(=O)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
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Smiles:
CCCCOC(=O)CC(C(=O)OCCCC)(OC(=O)C)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
Xlogp3:
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCCOC(=O)CC(C(=O)O)(OC(=O)C)CC(=O)OCCCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCOC(=O)CC(C(=O)O)(OC(=O)C)CC(=O)OCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
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Smiles: Clc1ccc(cc1)[C@H](c1ccccn1)OC1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
Clc1ccc(cc1)[C@H](c1ccccn1)OC1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__