General Information of the Compound
| Compound ID |
CP0746436
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| Compound Name |
4-((2-(2-(2-(3-methyl-4-(6-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-1H-pyrazol-1-yl)ethoxy)ethoxy)ethyl)carbamoyl)cyclobutane-1,2,3-tricarboxylic acid
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| Structure |
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| Formula |
C34H43N5O9
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| Molecular Weight |
665.744
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| Canonical SMILES |
Cc1nn(CCOCCOCCNC(=O)C2C(C(=O)O)C(C(=O)O)C2C(=O)O)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
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| InChI |
InChI=1S/C34H43N5O9/c1-20-4-3-11-38(20)12-9-22-5-7-25-23(18-22)6-8-26(36-25)24-19-39(37-21(24)2)13-15-48-17-16-47-14-10-35-31(40)27-28(32(41)42)30(34(45)46)29(27)33(43)44/h5-8,18-20,27-30H,3-4,9-17H2,1-2H3,(H,35,40)(H,41,42)(H,43,44)(H,45,46)/t20-,27?,28?,29?,30?/m1/s1
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| InChIKey |
UPIRPVAFRMKUTD-QNYSQSKBSA-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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