General Information of the Compound
| Compound ID |
CP0119178
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| Compound Name |
2-[(9S,10S,11E,14R,18S)-18-(2-amino-2-oxoethyl)-14-[(5-methylindol-1-yl)methyl]-8,17,20-trioxo-10-[4-(phosphonomethyl)phenyl]-7,16,19-triazaspiro[5.14]icos-11-en-9-yl]acetic acid
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| Structure |
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| Formula |
C38H48N5O9P
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| Molecular Weight |
749.802
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| Canonical SMILES |
Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(O)(O)=O)cc3)ccc2c1
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| InChI |
InChI=1S/C38H48N5O9P/c1-24-8-13-32-28(18-24)14-17-43(32)22-26-6-5-7-29(27-11-9-25(10-12-27)23-53(50,51)52)30(19-34(45)46)35(47)42-38(15-3-2-4-16-38)37(49)41-31(20-33(39)44)36(48)40-21-26/h5,7-14,17-18,26,29-31H,2-4,6,15-16,19-23H2,1H3,(H2,39,44)(H,40,48)(H,41,49)(H,42,47)(H,45,46)(H2,50,51,52)/b7-5+/t26-,29-,30+,31+/m1/s1
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| InChIKey |
WYANCIQWFFQARP-AZSCFGFUSA-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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