AX63931
2095432-58-7 | Sag hcl
Manufacturer: A2B Chem
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CatalogNumber
AX63931
ChemicalName
Sag hcl
CasNumber
2095432-58-7
MolecularFormula
C28H29Cl2N3OS
MolecularWeight
526.5204
MdlNumber
MFCD30187528
Smiles
CN[C@@H]1CC[C@H](CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1.Cl
Complexity
666
Covalently-bondedUnitCount
2
HeavyAtomCount
35
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
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CatalogNumber: AX63931
ChemicalName: Sag hcl
CasNumber: 2095432-58-7
MolecularFormula: C28H29Cl2N3OS
MolecularWeight: 526.5204
MdlNumber: MFCD30187528
Smiles: CN[C@@H]1CC[C@H](CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1.Cl
Complexity: 666
Covalently-bondedUnitCount: 2
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
CatalogNumber:
AX63931
ChemicalName:
Sag hcl
CasNumber:
2095432-58-7
MolecularFormula:
C28H29Cl2N3OS
MolecularWeight:
526.5204
MdlNumber:
MFCD30187528
Smiles:
CN[C@@H]1CC[C@H](CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1.Cl
Complexity:
666
Covalently-bondedUnitCount:
2
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
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Smiles: Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O.Cl
Complexity: __
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Smiles:
Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O.Cl
Complexity:
__
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Smiles: O=C1CC[C@@]2(C(=C1)c1ccc3c(c1C2)nnn3C(C)(C)C)CCOc1ccccc1
Complexity: __
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Smiles:
O=C1CC[C@@]2(C(=C1)c1ccc3c(c1C2)nnn3C(C)(C)C)CCOc1ccccc1
Complexity:
__
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Smiles: N#Cc1ccc2c(c1)N([C@@H](C)[C@@H](C(=O)N2Cc1c(OC)ccc2c1cccc2)NC(=O)[C@@H](NC)C)C(=O)c1ccc(cc1)C(=O)NCCOCCOCC(=O)N(CCOc1ccc(cc1)/C(=C(c1ccccc1)/CC)/c1ccc(cc1)OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O)CCCNC(=O)N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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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:
N#Cc1ccc2c(c1)N([C@@H](C)[C@@H](C(=O)N2Cc1c(OC)ccc2c1cccc2)NC(=O)[C@@H](NC)C)C(=O)c1ccc(cc1)C(=O)NCCOCCOCC(=O)N(CCOc1ccc(cc1)/C(=C(c1ccccc1)/CC)/c1ccc(cc1)OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O)CCCNC(=O)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__