General Information of the Compound
| Compound ID |
CP0042567
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| Compound Name |
[3-anilino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
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| Synonyms |
(2-(phenylamino)-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone)
1415800-43-9
2-Phenylamino-1,4-bis(4-(pyrrolidinyl)piperidinyl)benzamide
2782AH
AKOS024458279
AOB4333
BCP07393
BDBM50440614
CHEBI:95086
CHEMBL2426364
CS-1646
EX-A193
GTPL8232
HMS3652P22
KS-00000T6B
MLS006011024
MolPort-028-720-812
NCGC00344623-02
NCGC00344623-12
SB19337
SCHEMBL19730381
SMR004702819
UNC 1215
UNC-1215
UNC1215
ZINC83253967
[2-(Phenylamino)benzene-1,4-Diyl]bis{[4-(Pyrrolidin-1-Yl)piperidin-1-Yl]methanone}
s7088
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| Structure |
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| Formula |
C32H43N5O2
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| Molecular Weight |
529.729
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| Canonical SMILES |
O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Nc2ccccc2)c1
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| InChI |
InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
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| InChIKey |
PQOOIERVZAXHBP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound